Benzoic Acid

Benzoic Acid

SCHEMBL1784853

O=C(O)c1ccccc1.O=C(O)c1ccccc1.OC1CCCC(O)C1

nearest known ligand 0.56

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
TSHR P16473 2/20 0.56
DAO P14920 1/20 0.56
NAPRT Q6XQN6 1/20 0.56
SRD5A2 P31213 2/20 0.48
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
KMO O15229 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2C9 P11712 1/20 0.43
TP53 P04637 1/20 0.42
CHRM2 P08172 2/20 0.42
CHRM4 P08173 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
MCL1 Q07820 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
MITF O75030 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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 SCHEMBL633320 1.00 TSHR (0.56) TSHRDAONAPRTSRD5A2CES2
Benzoic Acid SCHEMBL28441353 0.86 TSHR (0.58) TSHRDAONAPRTSRD5A2CES2
Benzoic Acid SCHEMBL28488472 0.83 TSHR (0.61) TSHRDAONAPRTSRD5A2CES2
Benzoic Acid SCHEMBL27642012 0.83 TSHR (0.67) TSHRDAONAPRTSRD5A2CES2
Benzoic Acid SCHEMBL1786143 0.83 TSHR (0.67) TSHRDAONAPRTSRD5A2CES2
Benzoic Acid SCHEMBL27867237 0.81 TSHR (0.64) TSHRDAONAPRTSRD5A2CES2
SCHEMBL8815571 0.79 MCL1 (0.45) SRD5A2MCL1MEN1ALDH1A1KMT2A
Benzoic Acid SCHEMBL1785364 0.79 TSHR (0.61) TSHRDAONAPRTSRD5A2CES2
Benzoic Acid SCHEMBL10907428 0.79 TSHR (0.61) TSHRDAONAPRTSRD5A2CES2
Benzoic Acid SCHEMBL4089578 0.78 TSHR (0.82) 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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1472293-B1 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEM CORP (CN) 2017-04-26 EP claimed
US-7388061-B2 Solid catalyst component for polymerization of olefins, catalyst comprising the same and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2008-06-17 US claimed
US-20050239636-A1 Solid catalyst component for polymerization of olefins, catalyst comprising the same and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2005-10-27 US claimed
EP-3486263-A2 SELF-LIMITING CATALYST COMPOSITION WITH NO SILANE W.R. Grace & CO. - CONN. (US) 2019-05-22 EP disclosed
EP-2185600-B1 SELF-LIMITING CATALYST COMPOSITION WITH NO SILANE GRACE W R & CO (US) 2018-10-31 EP disclosed
US-9796796-B2 Self-limiting catalyst composition with No silane W. R. GRACE & CO.-CONN. (US) 2017-10-24 US disclosed
EP-1472293-B1 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEM CORP (CN) 2017-04-26 EP disclosed
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-20130109789-A1 OLEFIN POLYMERIZATION CATALYST, PROCESS FOR PRODUCING OLEFIN POLYMER, POLYPROPYLENE RESIN COMPOSITION AND ARTICLE COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-02 US disclosed
US-20110124491-A1 Self-Limiting Catalyst Composition with No Silane W. R. GRACE & CO.-CONN. 2011-05-26 US 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
EP-1666505-A1 CATALYST COMPONENTS CATALYSTS FOR OLEFINIC POLYMERIZATION AND THE USE THEREOF China Petroleum & Chemical Corporation (CN) 2006-06-07 EP disclosed
CN-1743348-A Catalyst component for olefinic polymerization and its catalyst CHINA PETROCHEMICAL CORP (CN) 2006-03-08 CN disclosed
CN-1743346-A Catalyst component for olefinic polymerization and its catalyst CHINA PETROCHEMICAL CORP (CN) 2006-03-08 CN disclosed
US-20050239636-A1 Solid catalyst component for polymerization of olefins, catalyst comprising the same and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2005-10-27 US disclosed
CN-1213080-C Catalyst for olefine polymerizing reaction and its components CHINA PETROCHEMICAL CORP (CN) 2005-08-03 CN 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-1453298-A Catalyst for olefine polymerizing reaction and its components CHINA PETROCHEMICAL CORP (CN) 2003-11-05 CN disclosed
CN-1446197-A Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER LAMBERT CO (US) 2003-10-01 CN disclosed