Benzoic Acid

Benzoic Acid

SCHEMBL28698367

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

nearest known ligand 0.47

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 0.47
TSHR P16473 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
SRD5A2 P31213 4/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ADRB1 P08588 2/20 0.37
ADRB3 P13945 2/20 0.37
ADRB2 P07550 1/20 0.37
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 4/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
RXRA P19793 1/20 0.36

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 SCHEMBL28703476 0.86 TSHR (0.50) DAOTSHRNAPRTSRD5A2CES2
Benzoic Acid SCHEMBL4577209 0.86 TSHR (0.50) DAOTSHRNAPRTSRD5A2CES2
Benzoic Acid SCHEMBL28701822 0.85 DAO (0.48) DAOTSHRNAPRTSRD5A2CES2
Benzoic Acid SCHEMBL6048458 0.80 TSHR (0.47) DAOTSHRNAPRTSRD5A2CES2
Benzoic Acid SCHEMBL28691998 0.80 TSHR (0.42) DAOTSHRNAPRTSRD5A2CES2
Benzoic Acid SCHEMBL5085502 0.78 TSHR (0.58) DAOTSHRNAPRTSRD5A2CES2
Benzoic Acid SCHEMBL23276980 0.78 TSHR (0.70) DAOTSHRNAPRTSRD5A2CES2
Benzoic Acid SCHEMBL28685385 0.77 TSHR (0.52) DAOTSHRNAPRTSRD5A2CES2
Benzoic Acid SCHEMBL1073797 0.77 TSHR (0.40) DAOTSHRNAPRTSRD5A2CES2
Benzoic Acid SCHEMBL28709202 0.77 TSHR (0.40) DAOTSHRNAPRTCES2CES1

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