Benzoic Acid

Benzoic Acid

SCHEMBL1783909

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

nearest known ligand 0.47

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 0.47
DAO P14920 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
SRD5A2 P31213 1/20 0.41
ADRB1 P08588 3/20 0.40
ADRB3 P13945 3/20 0.40
ADRB2 P07550 2/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 1/20 0.38
MAPT P10636 2/20 0.37
RXRA P19793 2/20 0.37
RXRB P28702 2/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP2C19 P33261 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 SCHEMBL1784830 0.85 TSHR (0.48) TSHRDAONAPRTGAACES2
Benzoic Acid SCHEMBL1783095 0.83 TSHR (0.47) TSHRDAONAPRTSMN1; SMN2CES2
Benzoic Acid SCHEMBL5085502 0.82 TSHR (0.58) TSHRDAONAPRTSMN1; SMN2CES2
Benzoic Acid SCHEMBL1784685 0.82 TSHR (0.45) TSHRDAONAPRTGAACES2
Benzoic Acid SCHEMBL5147655 0.81 DAO (0.48) TSHRDAONAPRTSMN1; SMN2GAA
Benzoic Acid SCHEMBL1784575 0.81 TSHR (0.48) TSHRDAONAPRTSMN1; SMN2GAA
Benzoic Acid SCHEMBL28703476 0.79 TSHR (0.50) TSHRDAONAPRTSMN1; SMN2GAA
Benzoic Acid SCHEMBL4577209 0.79 TSHR (0.50) TSHRDAONAPRTSMN1; SMN2GAA
Benzoic Acid SCHEMBL569274 0.78 TSHR (0.58) TSHRDAONAPRTSMN1; SMN2CES2
Benzoic Acid SCHEMBL4577183 0.78 TSHR (0.58) TSHRDAONAPRTSMN1; SMN2CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-2185600-A1 SELF-LIMITING CATALYST COMPOSITION WITH NO SILANE Dow Global Technologies Inc. (US) 2010-05-19 EP disclosed
CN-101565475-A Catalyst component and catalyst thereof for olefinic polymerization CHINA PETROLEUM & CHEMICAL (CN) 2009-10-28 CN disclosed
WO-2009029447-A1 SELF-LIMITING CATALYST COMPOSITION WITH NO SILANE DOW GLOBAL TECHNOLOGIES INC. (US) 2009-03-05 WO disclosed
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 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-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
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
CN-1446197-A Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER LAMBERT CO (US) 2003-10-01 CN disclosed