Benzoic Acid

Benzoic Acid

SCHEMBL28908043

CCC(C)(C)C(N)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
DAO P14920 1/20 0.48
TSHR P16473 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
CYP1A2 P05177 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
SRD5A2 P31213 1/20 0.42
KIF11 P52732 2/20 0.40
ALDH1A1 P00352 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
PKM P14618 1/20 0.40
ANPEP P15144 2/20 0.39
ENPEP Q07075 1/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
NPC1 O15118 1/20 0.38

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 SCHEMBL1783840 0.85 DAO (0.47) DAOTSHRNAPRTCYP1A2KMT2A
Benzoic Acid SCHEMBL1785936 0.81 TSHR (0.47) DAOTSHRNAPRTCYP1A2KMT2A
Benzoic Acid SCHEMBL11963082 0.81 DAO (0.47) DAOTSHRNAPRTCYP1A2KMT2A
Benzoic Acid SCHEMBL2032078 0.79 TSHR (0.64) DAOTSHRNAPRTCYP1A2KMT2A
Benzoic Acid SCHEMBL6934526 0.79 TSHR (0.64) DAOTSHRNAPRTCYP1A2KMT2A
Benzoic Acid SCHEMBL569747 0.77 TSHR (0.50) DAOTSHRNAPRTCYP1A2KMT2A
Benzoic Acid SCHEMBL1833087 0.77 TSHR (0.67) DAOTSHRNAPRTKMT2ACES2
Benzoic Acid SCHEMBL11963535 0.77 DAO (0.45) DAOTSHRNAPRTCYP1A2KMT2A
Benzoic Acid SCHEMBL1071213 0.76 TSHR (0.48) DAOTSHRNAPRTCYP1A2KMT2A
Benzoic Acid SCHEMBL1784830 0.76 TSHR (0.48) DAOTSHRNAPRTCYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114341254-B Health care articles comprising random propylene-ethylene copolymers SABIC环球技术有限责任公司 2024-01-09 CN disclosed
CN-107922694-B Process for producing low emission polypropylene SABIC环球技术有限责任公司 2023-08-15 CN disclosed
CN-114341254-A Health care articles comprising random propylene-ethylene copolymers SABIC环球技术有限责任公司 2022-04-12 CN disclosed
CN-113056515-A Food packaging comprising a polymer composition and use of said polymer composition for manufacturing food packaging SABIC环球技术有限责任公司 2021-06-29 CN disclosed
CN-107810206-B Procatalyst for olefin polymerization comprising aminobenzoate internal donor and 1, 3-diether internal donor in specific ratios SABIC环球技术有限责任公司 2021-01-19 CN disclosed
CN-108699283-B Composition comprising a heterophasic propylene copolymer SABIC环球技术有限责任公司 2020-12-29 CN disclosed