TDR Targets

Basic information

Technical information

TDR Targets ID: 313626
Name: 3-[(E)-benzylideneamino]oxybenzoic acid
MW: 241.242 | Formula: C14H11NO3
H donors: 1 H acceptors: 2 LogP: 3.05 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)c1cccc(c1)O/N=C/c1ccccc1
InChi: 1S/C14H11NO3/c16-14(17)12-7-4-8-13(9-12)18-15-10-11-5-2-1-3-6-11/h1-10H,(H,16,17)/b15-10+
InChiKey: XZFYAQNNFXYDTH-XNTDXEJSSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

3-[(E)-benzalamino]oxybenzoic acid
3-(phenylmethylideneamino)oxybenzoic acid
3-(phenylmethyleneamino)oxybenzoic acid
3-(benzylideneamino)oxybenzoic acid

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	hypothetical protein	0.0344	1	1
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0233	0.0341
Schistosoma mansoni	hypothetical protein	0.0344	1	1
Echinococcus multilocularis	Glycosyl transferase, family 35	0.0119	0.3124	0.3124
Brugia malayi	hypothetical protein	0.024	0.6835	1
Echinococcus granulosus	glycogen phosphorylase	0.0119	0.3124	0.3124
Schistosoma mansoni	glycogen phosphorylase	0.0119	0.3124	0.3124
Entamoeba histolytica	glycogen phosphorylase, putative	0.0051	0.1066	0.2879
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0233	0.2061
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0233	0.5
Echinococcus multilocularis	glycogen phosphorylase	0.0119	0.3124	0.3124
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0233	0.1827
Onchocerca volvulus		0.0049	0.0994	0.2633
Chlamydia trachomatis	glycogen phosphorylase	0.0119	0.3124	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0125	0.3299	0.4827
Echinococcus multilocularis	geminin	0.0344	1	1
Brugia malayi	MH2 domain containing protein	0.0125	0.3299	0.4827
Loa Loa (eye worm)	hypothetical protein	0.024	0.6835	1
Echinococcus granulosus	survival motor neuron protein 1	0.024	0.6835	0.6835
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0047	0.5
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0233	0.1827
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0233	0.1827
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0119	0.3124	0.5
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0233	0.0341
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0233	0.5
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0047	0.0069
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.0583	0.0853
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0233	0.0341
Entamoeba histolytica	glycogen phosphorylase, putative	0.0119	0.3124	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0233	0.2061
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.1085	0.1588
Mycobacterium ulcerans	glycogen phosphorylase GlgP	0.0051	0.1066	1
Echinococcus multilocularis	survival motor neuron protein 1	0.024	0.6835	0.6835
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0233	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.1085	0.1588
Schistosoma mansoni	glycogen phosphorylase	0.0119	0.3124	0.3124
Entamoeba histolytica	glycogenphosphorylase, putative	0.0051	0.1066	0.2879
Loa Loa (eye worm)	glycogen phosphorylase	0.0119	0.3124	0.457
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0233	0.1827
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.1085	0.1588
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0047	0.0069
Echinococcus multilocularis	glycogen phosphorylase	0.0119	0.3124	0.3124
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0233	0.1827
Schistosoma mansoni	survival motor neuron protein	0.0049	0.0994	0.0994
Echinococcus granulosus	glycogen phosphorylase	0.0119	0.3124	0.3124
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0049	0.0994	0.1455
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0233	0.0341
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0047	0.0069
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.0047	0.5
Schistosoma mansoni	hypothetical protein	0.0036	0.0583	0.0583
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0233	0.5
Entamoeba histolytica	glycogen phosphorylase, putative	0.0119	0.3124	1
Echinococcus granulosus	Glycosyl transferase family 35	0.0119	0.3124	0.3124
Brugia malayi	carbohydrate phosphorylase	0.0119	0.3124	0.457
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0119	0.3124	0.5
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0233	0.1827
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0233	0.1827
Giardia lamblia	Glycogen phosphorylase	0.0119	0.3124	0.5
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0583	0.0853
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0233	0.1827
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0233	0.5
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0233	0.0341
Schistosoma mansoni	hypothetical protein	0.0049	0.0994	0.0994
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0047	0.0286
Mycobacterium tuberculosis	Probable glycogen phosphorylase GlgP	0.0051	0.1066	1
Entamoeba histolytica	glycogen phosphorylase, putative	0.0051	0.1066	0.2879
Onchocerca volvulus	Glycogen phosphorylase homolog	0.0119	0.3124	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0233	0.0341
Schistosoma mansoni	glycogen phosphorylase	0.0051	0.1066	0.1066
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0047	0.0069
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0047	0.0069
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1085	0.1588
Loa Loa (eye worm)	transcription factor SMAD2	0.0125	0.3299	0.4827

Activities

Activity type	Activity value	Assay description	Source	Reference
Formation (binding)	= 50 %	Percentage of WT-TTR (3.6 uM) amyloid fibril formation at pH 4.4 upon incubation with the compound (7.2 uM)	ChEMBL.	15743199
Formation (binding)	= 50 %	Percentage of WT-TTR (3.6 uM) amyloid fibril formation at pH 4.4 upon incubation with the compound (7.2 uM)	ChEMBL.	15743199

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

PubChem: 11333939

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 313626