Benzoic Acid

Benzoic Acid

SCHEMBL9856616

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

nearest known ligand 0.47

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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 0.47
DAO P14920 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
ALDH1A1 P00352 6/20 0.43
RAB9A P51151 1/20 0.43
TRPA1 O75762 2/20 0.42
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
SRD5A2 P31213 1/20 0.41
MAPT P10636 1/20 0.41
PGR P06401 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
HTR2A P28223 1/20 0.40
HRH1 P35367 1/20 0.40
KCNH2 Q12809 1/20 0.40
PRSS1 P07477 1/20 0.39
CTSG P08311 1/20 0.39
CTRB1 P17538 1/20 0.39
CMA1 P23946 1/20 0.39

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 SCHEMBL1334580 1.00 TSHR (0.47) TSHRDAONAPRTALDH1A1RAB9A
Benzoic Acid SCHEMBL28354560 0.95 DAO (0.42) TSHRDAONAPRTALDH1A1RAB9A
Benzoic Acid SCHEMBL1071783 0.89 DAO (0.42) TSHRDAONAPRTALDH1A1RAB9A
Benzoic Acid SCHEMBL27622992 0.89 DAO (0.42) TSHRDAONAPRTALDH1A1RAB9A
Benzoic Acid SCHEMBL28689306 0.87 DAO (0.44) TSHRDAONAPRTALDH1A1RAB9A
Benzoic Acid SCHEMBL1070315 0.87 DAO (0.44) TSHRDAONAPRTALDH1A1RAB9A
Benzoic Acid SCHEMBL29197419 0.87 TRPA1 (0.46) TSHRALDH1A1RAB9ATRPA1CYP1A2
Benzoic Acid SCHEMBL28685385 0.84 TSHR (0.52) TSHRDAONAPRTALDH1A1RAB9A
Benzoic Acid SCHEMBL1784503 0.83 TSHR (0.50) TSHRDAONAPRTALDH1A1RAB9A
Benzoic Acid SCHEMBL1786487 0.82 TSHR (0.54) TSHRDAONAPRTALDH1A1RAB9A

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-0416822-A2 Stain-resistant plasticizer compositions and method of making same VELSICOL CHEMICAL CORPORATION (US) 1991-03-13 EP claimed
CN-116806195-A Lamp system with diffusing PVB interlayer 首诺公司 2023-09-26 CN disclosed
CN-116419846-A Multilayer interlayer with improved acoustic properties 首诺公司 2023-07-11 CN disclosed
CN-109070547-B Polymer interlayers exhibiting enhanced properties and performance and multilayer sheets made therefrom 首诺公司 2021-07-20 CN disclosed