Benzoic Acid

Benzoic Acid

SCHEMBL1784532

CCCC(O)C(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
PRSS1 P07477 4/20 0.43
CTSG P08311 4/20 0.43
CTRB1 P17538 4/20 0.43
CMA1 P23946 4/20 0.43
CES2 O00748 4/20 0.41
CES1 P23141 4/20 0.41
SRD5A2 P31213 1/20 0.41
SLC6A3 Q01959 2/20 0.41
SLC6A2 P23975 1/20 0.41
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38

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 SCHEMBL1786954 0.88 DAO (0.48) TSHRDAONAPRTPRSS1CTSG
Benzoic Acid SCHEMBL27642058 0.87 TSHR (0.44) TSHRDAONAPRTPRSS1CTSG
Benzoic Acid SCHEMBL1784503 0.86 TSHR (0.50) TSHRDAONAPRTPRSS1CTSG
Benzoic Acid SCHEMBL28604331 0.86 TSHR (0.42) TSHRDAONAPRTPRSS1CTSG
Benzoic Acid SCHEMBL28689306 0.84 DAO (0.44) TSHRDAONAPRTPRSS1CTSG
Benzoic Acid SCHEMBL1784704 0.84 TSHR (0.44) TSHRDAONAPRTPRSS1CTSG
Benzoic Acid SCHEMBL28045356 0.84 DAO (0.44) TSHRDAONAPRTPRSS1CTSG
Benzoic Acid SCHEMBL1789329 0.83 DAO (0.47) TSHRDAONAPRTPRSS1CTSG
Benzoic Acid SCHEMBL1784796 0.82 DAO (0.45) TSHRDAONAPRTPRSS1CTSG
Benzoic Acid SCHEMBL1783514 0.81 TSHR (0.41) TSHRDAONAPRTPRSS1CTSG

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 15 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
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