Benzoic Acid

Benzoic Acid

SCHEMBL28449507

CC1CCN(O)C(C)(C)C1(C)C.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
ACHE P22303 1/20 0.42
DAO P14920 1/20 0.41
TSHR P16473 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
USP2 O75604 1/20 0.41
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
SRD5A2 P31213 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 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
SCHEMBL29022929 0.77 KMT2A (0.49) TSHRGAAKMT2AMEN1
Benzoic Acid SCHEMBL28616712 0.71 HRH3 (0.44) ACHEDAOTSHRNAPRTUSP2
Benzoic Acid SCHEMBL2806428 0.69 TSHR (0.64) ACHEDAOTSHRNAPRTUSP2
Benzoic Acid SCHEMBL8427607 0.67 DAO (0.54) ACHEDAOTSHRNAPRTUSP2
Benzoic Acid SCHEMBL27819561 0.67 TSHR (0.58) ACHEDAOTSHRNAPRTUSP2
Benzoic Acid SCHEMBL4089426 0.67 TSHR (0.58) ACHEDAOTSHRNAPRTUSP2
Benzoic Acid SCHEMBL5142456 0.66 TSHR (0.93) DAOTSHRNAPRTTP53CES2
Benzoic Acid SCHEMBL29039829 0.66 TSHR (0.64) DAOTSHRNAPRTNPC1TP53
Benzoic Acid SCHEMBL16631990 0.65 TSHR (0.70) DAOTSHRNAPRTTP53GAA
Benzoic Acid SCHEMBL4098363 0.65 TSHR (0.56) ACHEDAOTSHRNAPRTUSP2

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-112724071-A Preparation method and equipment of hindered amine light stabilizer 浙江合糖科技有限公司 2021-04-30 CN disclosed
CN-211339353-U Preparation equipment of hindered amine light stabilizer 浙江合糖科技有限公司 2020-08-25 CN disclosed