Benzoic Acid

Benzoic Acid

SCHEMBL5085502

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

nearest known ligand 0.58

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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
TSHR P16473 4/20 0.58
DAO P14920 1/20 0.58
NAPRT Q6XQN6 1/20 0.58
SRD5A2 P31213 2/20 0.50
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TP53 P04637 1/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
ADRB1 P08588 2/20 0.42
ADRB3 P13945 2/20 0.42
ADRB2 P07550 1/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.42
XBP1 P17861 1/20 0.42

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 SCHEMBL1782983 0.88 TSHR (0.54) TSHRDAONAPRTSRD5A2CES2
Benzoic Acid SCHEMBL4577183 0.88 TSHR (0.58) TSHRDAONAPRTSRD5A2CES2
Benzoic Acid SCHEMBL569274 0.88 TSHR (0.58) TSHRDAONAPRTSRD5A2CES2
Benzoic Acid SCHEMBL1785361 0.86 TSHR (0.52) TSHRDAONAPRTSRD5A2CES2
Benzoic Acid SCHEMBL28685385 0.86 TSHR (0.52) TSHRDAONAPRTSRD5A2CES2
Benzoic Acid SCHEMBL1784406 0.86 TSHR (0.52) TSHRDAONAPRTSRD5A2CES2
Benzoic Acid SCHEMBL5607281 0.84 TSHR (0.74) TSHRDAONAPRTSRD5A2CES2
Benzoic Acid SCHEMBL1913806 0.84 TSHR (0.74) TSHRDAONAPRTSRD5A2CES2
Benzoic Acid SCHEMBL7865148 0.84 TSHR (0.74) TSHRDAONAPRTSRD5A2CES2
Benzoic Acid SCHEMBL27562905 0.84 TSHR (0.74) TSHRDAONAPRTSRD5A2CES2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1666505-B1 CATALYST COMPONENTS CATALYSTS FOR OLEFINIC POLYMERIZATION AND THE USE THEREOF CHINA PETROLEUM & CHEMICAL (CN) 2016-03-23 EP disclosed
CN-103087222-A Olefin polymerization catalyst, process for producing olefin polymer, polypropylene resin composition and article comprising the same SUMITOMO CHEMICAL CO 2013-05-08 CN disclosed
US-7332455-B2 Catalyst component and catalyst for olefin polymerization as well as use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2008-02-19 US disclosed
CN-1310963-C Catalyst component for olefin polymerization reaction and catalyst CHINA PETROCHEMICAL CORP (CN) 2007-04-18 CN disclosed
EP-1666505-A1 CATALYST COMPONENTS CATALYSTS FOR OLEFINIC POLYMERIZATION AND THE USE THEREOF China Petroleum & Chemical Corporation (CN) 2006-06-07 EP disclosed
US-20050119427-A1 Catalyst component and catalyst for olefin polymerization as well as use thereof BEIJING RESEARCH INSTITUTE OF CHEMICAL INDUSTRY, CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2005-06-02 US disclosed
CN-1552741-A Catalyst component for olefin polymerization reaction and catalyst 中国石油化工股份有限公司 2004-12-08 CN disclosed