Benzoic Acid

Benzoic Acid

SCHEMBL20985706

CCC(=O)O.CCCC(=O)O.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
DAO P14920 1/20 0.56
TSHR P16473 1/20 0.56
NAPRT Q6XQN6 1/20 0.56
CES2 O00748 6/20 0.55
CES1 P23141 6/20 0.55
HDAC3 O15379 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
FFAR3 O14843 1/20 0.52
NR4A2 P43354 1/20 0.50
SRD5A2 P31213 1/20 0.48
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
CYP2C19 P33261 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46

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 SCHEMBL6130390 0.96 TSHR (0.61) DAOTSHRNAPRTCES2CES1
Benzoic Acid SCHEMBL625507 0.96 TSHR (0.61) DAOTSHRNAPRTCES2CES1
Benzoic Acid SCHEMBL28364663 0.94 TSHR (0.58) DAOTSHRNAPRTCES2CES1
Benzoic Acid SCHEMBL28827986 0.90 CES2 (0.46) DAOTSHRNAPRTCES2CES1
Benzoic Acid SCHEMBL5788770 0.89 TSHR (0.70) DAOTSHRNAPRTCES2CES1
Benzoic Acid SCHEMBL242715 0.89 TSHR (0.70) DAOTSHRNAPRTCES2CES1
Benzoic Acid SCHEMBL8436626 0.89 NAPRT (0.52) DAOTSHRNAPRTCES2CES1
Benzoic Acid SCHEMBL29183923 0.87 TSHR (0.67) DAOTSHRNAPRTCES2CES1
Terephthalic Acid SCHEMBL9943962 0.87 FFAR3 (0.62) TSHRHDAC3HDAC1HDAC2HDAC8
Octanoic Acid SCHEMBL9297950 0.85 CES2 (0.60) TSHRCES2CES1HDAC3HDAC1

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
US-11174373-B2 Resin composition and resin molded body FUJIFILM BUSINESS INNOVATION CORP. (JP) 2021-11-16 US disclosed
US-20190153200-A1 RESIN COMPOSITION AND RESIN MOLDED BODY FUJI XEROX CO., LTD. (JP) 2019-05-23 US disclosed