Benzoic Acid

Benzoic Acid

SCHEMBL1784575

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

nearest known ligand 0.48

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 0.48
DAO P14920 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
SRD5A2 P31213 2/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
PGR P06401 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
KCNH2 Q12809 1/20 0.41
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 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 SCHEMBL1783481 0.82 TSHR (0.44) TSHRDAONAPRTSMN1; SMN2GAA
Benzoic Acid SCHEMBL1783909 0.81 TSHR (0.47) TSHRDAONAPRTSMN1; SMN2GAA
Benzoic Acid SCHEMBL1784643 0.80 TSHR (0.54) TSHRDAONAPRTGAASRD5A2
Benzoic Acid SCHEMBL1784837 0.80 DAO (0.41) TSHRDAONAPRTSMN1; SMN2GAA
Benzoic Acid SCHEMBL5147655 0.79 DAO (0.48) TSHRDAONAPRTSMN1; SMN2GAA
Benzoic Acid SCHEMBL16618554 0.79 TSHR (0.48) TSHRDAONAPRTSMN1; SMN2GAA
Benzoic Acid SCHEMBL29283572 0.79 TSHR (0.70) TSHRDAONAPRTSMN1; SMN2SRD5A2
Benzoic Acid SCHEMBL2069391 0.79 TSHR (0.70) TSHRDAONAPRTSMN1; SMN2SRD5A2
Benzoic Acid SCHEMBL1785343 0.79 TSHR (0.52) TSHRDAONAPRTSMN1; SMN2GAA
Benzoic Acid SCHEMBL4578701 0.77 TSHR (0.50) TSHRDAONAPRTSMN1; SMN2GAA

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 17 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
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
EP-1666505-A1 CATALYST COMPONENTS CATALYSTS FOR OLEFINIC POLYMERIZATION AND THE USE THEREOF China Petroleum & Chemical Corporation (CN) 2006-06-07 EP disclosed
CN-1743346-A Catalyst component for olefinic polymerization and its catalyst CHINA PETROCHEMICAL CORP (CN) 2006-03-08 CN disclosed
CN-1743348-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
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