Benzoic Acid

Benzoic Acid

SCHEMBL4576740

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

nearest known ligand 0.40

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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
TSHR P16473 2/20 0.40
DAO P14920 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
PRSS1 P07477 4/20 0.39
CTSG P08311 4/20 0.39
CTRB1 P17538 4/20 0.39
CMA1 P23946 4/20 0.39
SLC6A3 Q01959 2/20 0.37
SLC6A2 P23975 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
CES2 O00748 2/20 0.36
CES1 P23141 2/20 0.36
SRD5A2 P31213 1/20 0.36
GAA P10253 2/20 0.35
ALOX12 P18054 1/20 0.35
CYP2C19 P33261 1/20 0.35
PLA2G4B P0C869 1/20 0.35
ALDH1A1 P00352 2/20 0.34

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 SCHEMBL29092826 0.87 TSHR (0.44) TSHRDAONAPRTPRSS1CTSG
Benzoic Acid SCHEMBL27507916 0.86 DAO (0.40) TSHRDAONAPRTPRSS1CTSG
Benzoic Acid SCHEMBL28691998 0.85 TSHR (0.42) TSHRDAONAPRTPRSS1CTSG
Benzoic Acid SCHEMBL28832472 0.85 DAO (0.42) TSHRDAONAPRTPRSS1CTSG
Benzoic Acid SCHEMBL30822815 0.81 TSHR (0.56) TSHRDAONAPRTPRSS1CTSG
Benzoic Acid SCHEMBL28604331 0.79 TSHR (0.42) TSHRDAONAPRTPRSS1CTSG
Benzoic Acid SCHEMBL1786431 0.79 DAO (0.39) TSHRDAONAPRTPRSS1CTSG
Benzoic Acid SCHEMBL1783286 0.79 DAO (0.39) TSHRDAONAPRTPRSS1CTSG
Benzoic Acid SCHEMBL569362 0.78 TSHR (0.52) TSHRDAONAPRTPRSS1CTSG
Benzoic Acid SCHEMBL1783800 0.78 TSHR (0.44) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114478846-A Carrier of catalyst with function of catalyzing olefin polymerization, preparation method and application of carrier, olefin polymerization catalyst and application of olefin polymerization catalyst 中国石油化工股份有限公司 2022-05-13 CN disclosed
EP-1472293-A4 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL (CN) 2008-01-16 EP disclosed
EP-1472293-A1 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF China Petroleum & Chemical Corporation (CN) 2004-11-03 EP disclosed
WO-2003068828-A1 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2003-08-21 WO disclosed