Benzoic Acid

Benzoic Acid

SCHEMBL4834699

CCC(C)(C)C(O)(CC)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 4/20 0.48
DAO P14920 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
SRD5A2 P31213 2/20 0.42
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
PKM P14618 2/20 0.39
GAA P10253 1/20 0.39
POLB P06746 2/20 0.38
NPC1 O15118 1/20 0.38
CYP2C9 P11712 1/20 0.38
RAB9A P51151 1/20 0.38
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 SCHEMBL1786034 0.89 TSHR (0.44) TSHRDAONAPRTCES2CES1
Benzoic Acid SCHEMBL1786375 0.88 TSHR (0.50) TSHRDAONAPRTCES2CES1
Benzoic Acid SCHEMBL1786030 0.86 TSHR (0.36) TSHRDAONAPRTCES2CES1
Benzoic Acid SCHEMBL1784037 0.84 TSHR (0.50) TSHRDAONAPRTCES2CES1
Benzoic Acid SCHEMBL1785415 0.80 TSHR (0.54) TSHRDAONAPRTCES2CES1
Benzoic Acid SCHEMBL1784643 0.80 TSHR (0.54) TSHRDAONAPRTCES2CES1
Benzoic Acid SCHEMBL11228092 0.80 TSHR (0.58) TSHRDAONAPRTCES2CES1
Benzoic Acid SCHEMBL2032078 0.79 TSHR (0.64) TSHRDAONAPRTCES2CES1
Benzoic Acid SCHEMBL6934526 0.79 TSHR (0.64) TSHRDAONAPRTCES2CES1
Benzoic Acid SCHEMBL2069391 0.79 TSHR (0.70) TSHRDAONAPRTCES2CES1

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 11 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-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-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