Benzoic Acid

Benzoic Acid

SCHEMBL721538

CC(C)C(O)C(C)(C)CO.O=C(O)c1ccccc1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CACNA1CCACNA1DCACNA1FCACNA1SDPP4HTR1BHTR1D

The experimentally established mechanism targets of Benzoic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.53
DAO P14920 1/20 0.47
TSHR P16473 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
RXRG P48443 2/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
SRD5A2 P31213 1/20 0.41
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
VNN1 O95497 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 2/20 0.38
ADRB1 P08588 2/20 0.37
ADRB3 P13945 2/20 0.37
ADRB2 P07550 1/20 0.37
NR4A1 P22736 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Benzoic Acid SCHEMBL720788 1.00 TRPA1 (0.53) TRPA1DAOTSHRNAPRTRXRA
Benzoic Acid SCHEMBL157373 0.95 TRPA1 (0.49) TRPA1DAOTSHRNAPRTRXRA
Benzoic Acid SCHEMBL23200506 0.95 TRPA1 (0.49) TRPA1DAOTSHRNAPRTRXRA
Benzoyl Formic Acid SCHEMBL16047491 0.93 TRPA1 (0.46) TRPA1DAOTSHRNAPRTRXRA
Isophthalic Acid SCHEMBL10943672 0.90 TRPA1 (0.46) TRPA1RXRARXRBNR4A1NR4A2
Benzoic Acid SCHEMBL272637 0.90 TRPA1 (0.44) TRPA1DAOTSHRNAPRTRXRA
Benzoic Acid SCHEMBL16045755 0.89 TRPA1 (0.43) TRPA1DAOTSHRNAPRTRXRA
Benzoic Acid SCHEMBL16044771 0.89 TRPA1 (0.43) TRPA1DAOTSHRNAPRTRXRA
Benzoic Acid SCHEMBL7624769 0.88 TRPA1 (0.42) TRPA1DAOTSHRNAPRTRXRA
Benzoic Acid SCHEMBL7630225 0.88 TRPA1 (0.42) TRPA1DAOTSHRNAPRTRXRA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107263945-B Polymer interlayers including two kinds or the blend of more kinds of resins 首诺公司 2019-08-20 CN claimed
CN-107263945-A Polymer interlayers including two kinds or the blend of more kinds of resins 首诺公司 2017-10-20 CN claimed
EP-2337872-B1 METAL EXTRACTANT REAGENTS HAVING INCREASED RESISTANCE TO DEGRADATION CYTEC TECH CORP (US) 2016-11-16 EP claimed
US-8609063-B2 Metal extractant reagents having increased resistance to degradation CYTEC TECHNOLOGY CORP. (US) 2013-12-17 US claimed
US-20130069008-A1 METAL EXTRACTANT REAGENTS HAVING INCREASED RESISTANCE TO DEGRADATION CYTEC TECHNOLOGY CORP. (US) 2013-03-21 US claimed
US-8349208-B2 Modification of copper/iron selectivity in copper solvent extraction systems CYTEC TECHNOLOGY CORP. (US) 2013-01-08 US claimed
US-8329124-B2 Metal extractant reagents having increased resistance to degradation CYTEC TECHNOLOGY CORP. (US) 2012-12-11 US claimed
US-20120282156-A1 MODIFICATION OF COPPER/IRON SELECTIVITY IN COPPER SOLVENT EXTRACTION SYSTEMS CYTEC TECHNOLOGY CORP. (US) 2012-11-08 US claimed
US-8282857-B2 Modification of copper/iron selectivity in copper solvent extraction systems CYTEC TECHNOLOGY CORP. (US) 2012-10-09 US claimed
US-20120052428-A1 PENTANEDIOL ESTER CONTAINING PHOTOCONDUCTORS XEROX CORPORATION (US) 2012-03-01 US claimed
EP-1613784-A1 COMPOSITION AND PROCESS FOR THE SOLVENT EXTRACTION OF METALS USING ALDOXIME OR KETOXIME EXTRACTANTS CYTEC TECHNOLOGY CORP. (US) 2006-01-11 EP claimed
WO-2004094676-A1 COMPOSITION AND PROCESS FOR THE SOLVENT EXTRACTION OF METALS USING ALDOXIME OR KETOXIME EXTRACTANTS CYTEC TECHNOLOGY CORP. (US) 2004-11-04 WO claimed
US-20040208807-A1 Composition and process CYTEC TECHNOLOGY CORP. 2004-10-21 US claimed
US-6726887-B1 SOLVENT EXTRACTION COMPOSITION COMPRISING ONE OR MORE ORTHOHYDROXYARYLALDOXIMES OR ORTHOHYDROXYARYLKETOXIMES AND ONE OR MORE ESTERS SUBSTITUTED WITH HYDROXY GROUP; EXTRACTION OF METALS FROM AQUEOUS SOLUTIONS OBTAINED BY LEACHING ORES CYTEC TECHNOLOGY CORP. 2004-04-27 US claimed
EP-1141424-B1 COMPOSITION OF OXIME AND HYDROXY-ESTER FOR THE SOLVENT EXTRACTION OF METALS AVECIA LTD (GB) 2003-07-30 EP claimed
EP-1141424-A1 COMPOSITION OF OXIME AND HYDROXY-ESTER FOR THE SOLVENT EXTRACTION OF METALS Avecia Limited (GB) 2001-10-10 EP claimed
WO-2000036167-A1 COMPOSITION OF OXIME AND HYDROXY-ESTER FOR THE SOLVENT EXTRACTION OF METALS AVECIA LIMITED (GB) 2000-06-22 WO claimed
EP-0416822-B1 Stain-resistant plasticizer compositions and method of making same VELSICOL CHEMICAL CORP (US) 1996-03-13 EP claimed
US-5039728-A Floor and wall coverings; vinly chloride homo- and copolymers HULS AMERICA INC. (US) 1991-08-13 US claimed
EP-0416822-A2 Stain-resistant plasticizer compositions and method of making same VELSICOL CHEMICAL CORPORATION (US) 1991-03-13 EP claimed