Benzoic Acid

Benzoic Acid

SCHEMBL29186010

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

nearest known ligand 0.53

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
RARB P10826 1/20 0.53
DAO P14920 1/20 0.50
TSHR P16473 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
MAPK1 P28482 2/20 0.47
GRIN2D O15399 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
SRD5A2 P31213 1/20 0.44
TAS2R14 Q9NYV8 1/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
MCL1 Q07820 1/20 0.40

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 SCHEMBL28673610 0.89 TSHR (0.54) RARBDAOTSHRNAPRTMAPK1
Benzoic Acid SCHEMBL27884640 0.86 RARB (0.53) RARBDAOTSHRNAPRTMAPK1
Benzoic Acid SCHEMBL2007986 0.86 CES2 (0.50) RARBDAOTSHRNAPRTCES2
Benzoic Acid SCHEMBL247596 0.85 TSHR (0.64) RARBDAOTSHRNAPRTMAPK1
Benzoic Acid SCHEMBL27624637 0.84 CES2 (0.51) RARBDAOTSHRNAPRTCES2
Benzoic Acid SCHEMBL28954695 0.84 CES2 (0.51) RARBDAOTSHRNAPRTCES2
Benzoic Acid SCHEMBL27642010 0.84 CES2 (0.51) RARBDAOTSHRNAPRTCES2
Benzoic Acid SCHEMBL27769443 0.84 ALDH1A1 (0.52) RARBDAOTSHRNAPRTCES2
Benzoic Acid SCHEMBL28984665 0.84 RARB (0.51) RARBDAOTSHRNAPRTMAPK1
Isostearyl Alcohol SCHEMBL27482446 0.84 RARB (0.51) RARBDAOTSHRNAPRTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117801140-A Catalyst system for olefin polymerization reaction, prepolymerized catalyst composition and application 中国石油化工股份有限公司 2024-04-02 CN disclosed
CN-117801139-A Catalyst system for olefin polymerization reaction, prepolymerized catalyst composition and application 中国石油化工股份有限公司 2024-04-02 CN disclosed