Benzoic Acid

Benzoic Acid

SCHEMBL28890683

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

nearest known ligand 0.56

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
TSHR P16473 2/20 0.56
DAO P14920 1/20 0.56
NAPRT Q6XQN6 1/20 0.56
SRD5A2 P31213 3/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
MAPK1 P28482 1/20 0.43
TP53 P04637 1/20 0.42
PGR P06401 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42
KCNH2 Q12809 1/20 0.42
RARB P10826 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 1/20 0.41
XBP1 P17861 1/20 0.41
ATM Q13315 1/20 0.41

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 SCHEMBL1784140 0.92 TSHR (0.61) TSHRDAONAPRTSRD5A2CES2
Benzoic Acid SCHEMBL27565732 0.91 TSHR (0.47) TSHRDAONAPRTSRD5A2CES2
Benzoic Acid SCHEMBL27592318 0.91 TSHR (0.50) TSHRDAONAPRTSRD5A2CES2
Benzoic Acid SCHEMBL28052651 0.91 TSHR (0.50) TSHRDAONAPRTSRD5A2CES2
Benzoic Acid SCHEMBL27592333 0.90 TSHR (0.58) TSHRDAONAPRTSRD5A2CES2
Benzoic Acid SCHEMBL28997517 0.90 DAO (0.45) TSHRDAONAPRTSRD5A2CES2
Benzoic Acid SCHEMBL27593498 0.89 TSHR (0.48) TSHRDAONAPRTSRD5A2CES2
Benzoic Acid SCHEMBL11707346 0.86 TSHR (0.54) TSHRDAONAPRTSRD5A2CES2
Benzoic Acid SCHEMBL227466 0.86 TSHR (0.54) TSHRDAONAPRTSRD5A2CES2
Benzoic Acid SCHEMBL17595203 0.86 DAO (0.54) TSHRDAONAPRTSRD5A2CES2

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-111234064-B Solid catalyst component for olefin polymerization, olefin polymerization catalyst and application thereof 中国石油化工股份有限公司 2021-08-03 CN disclosed
CN-111234064-A Solid catalyst component for olefin polymerization, olefin polymerization catalyst and application thereof 中国石油化工股份有限公司 2020-06-05 CN disclosed