Benzoic Acid

Benzoic Acid

SCHEMBL28691998

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

nearest known ligand 0.42

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 0.42
DAO P14920 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
CES2 O00748 4/20 0.38
CES1 P23141 4/20 0.38
SRD5A2 P31213 1/20 0.38
PGR P06401 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
KCNH2 Q12809 1/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP2C19 P33261 2/20 0.37
GAA P10253 2/20 0.37
RAB9A P51151 1/20 0.37
ALOX12 P18054 1/20 0.37
LMNA P02545 1/20 0.36
CYP2D6 P10635 2/20 0.35
CYP1A2 P05177 1/20 0.35

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 SCHEMBL28709202 0.91 TSHR (0.40) TSHRDAONAPRTCES2CES1
Benzoic Acid SCHEMBL4576740 0.85 TSHR (0.40) TSHRDAONAPRTCES2CES1
Benzoic Acid SCHEMBL4577209 0.82 TSHR (0.50) TSHRDAONAPRTCES2CES1
Benzoic Acid SCHEMBL28703476 0.82 TSHR (0.50) TSHRDAONAPRTCES2CES1
Benzoic Acid SCHEMBL1784685 0.81 TSHR (0.45) TSHRDAONAPRTCES2CES1
Benzoic Acid SCHEMBL28701822 0.81 DAO (0.48) TSHRDAONAPRTCES2CES1
Benzoic Acid SCHEMBL27573803 0.80 TSHR (0.44) TSHRDAONAPRTCES2CES1
Benzoic Acid SCHEMBL1786441 0.80 DAO (0.44) TSHRDAONAPRTCES2CES1
Benzoic Acid SCHEMBL4837242 0.80 DAO (0.47) TSHRDAONAPRTCES2CES1
Benzoic Acid SCHEMBL28698367 0.80 DAO (0.47) TSHRDAONAPRTCES2CES1

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-114085301-B Solid catalyst component for preparing olefin polymer and application thereof 中国石油化工股份有限公司 2023-05-09 CN claimed
CN-114085301-A Solid catalyst component for preparing olefin polymer and application thereof 中国石油化工股份有限公司 2022-02-25 CN claimed
CN-114085301-B Solid catalyst component for preparing olefin polymer and application thereof 中国石油化工股份有限公司 2023-05-09 CN disclosed
CN-114085301-A Solid catalyst component for preparing olefin polymer and application thereof 中国石油化工股份有限公司 2022-02-25 CN disclosed