Benzoic Acid

Benzoic Acid

SCHEMBL5085384

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

nearest known ligand 0.41

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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
DAO P14920 1/20 0.41
TSHR P16473 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37
CES2 O00748 2/20 0.37
CES1 P23141 2/20 0.37
SRD5A2 P31213 1/20 0.37
PGR P06401 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP2C19 P33261 2/20 0.36
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36
PRSS1 P07477 1/20 0.36

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 SCHEMBL1784952 0.88 TSHR (0.44) DAOTSHRNAPRTALDH1A1RAB9A
Benzoic Acid SCHEMBL1786799 0.85 DAO (0.41) DAOTSHRNAPRTALDH1A1RAB9A
Benzoic Acid SCHEMBL1785698 0.81 TSHR (0.47) DAOTSHRNAPRTALDH1A1RAB9A
Benzoic Acid SCHEMBL1785700 0.78 TSHR (0.47) DAOTSHRNAPRTALDH1A1RAB9A
Benzoic Acid SCHEMBL1785122 0.78 TSHR (0.50) DAOTSHRNAPRTALDH1A1CES2
Benzoic Acid SCHEMBL4839344 0.78 TSHR (0.50) DAOTSHRNAPRTALDH1A1RAB9A
Benzoic Acid SCHEMBL28691998 0.78 TSHR (0.42) DAOTSHRNAPRTALDH1A1RAB9A
Benzoic Acid SCHEMBL28737090 0.77 TSHR (0.54) DAOTSHRNAPRTALDH1A1KMT2A
Benzoic Acid SCHEMBL1784685 0.77 TSHR (0.45) DAOTSHRNAPRTALDH1A1RAB9A
Benzoic Acid SCHEMBL1785372 0.77 TSHR (0.45) DAOTSHRNAPRTALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1666505-B1 CATALYST COMPONENTS CATALYSTS FOR OLEFINIC POLYMERIZATION AND THE USE THEREOF CHINA PETROLEUM & CHEMICAL (CN) 2016-03-23 EP 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
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