Benzoic Acid

Benzoic Acid

SCHEMBL9813613

CC(=O)N1C(C)(C)CC(C)CC1(C)C.O=C(O)c1ccccc1

nearest known ligand 0.48

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
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 3/20 0.44
DAO P14920 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
KMT2A Q03164 2/20 0.42
ACHE P22303 1/20 0.41
MAPK1 P28482 2/20 0.40
CCR2 P41597 1/20 0.40
ESR1 P03372 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
USP2 O75604 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
SRD5A2 P31213 1/20 0.39
NOTUM Q6P988 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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 SCHEMBL9813741 0.84 TSHR (0.47) LMNATSHRDAONAPRTPLA2G1B
Benzoic Acid SCHEMBL9813665 0.78 PLA2G1B (0.40) TSHRDAONAPRTPLA2G1BATG4B
Benzoic Acid SCHEMBL9813580 0.78 OPRD1 (0.41) LMNAL3MBTL1TSHRDAONAPRT
SCHEMBL9657743 0.76 TSHR (0.71) LMNAL3MBTL1TSHRKMT2AESR1
Benzoic Acid SCHEMBL9813623 0.76 OPRD1 (0.41) LMNATSHRDAONAPRTPLA2G1B
Benzoic Acid SCHEMBL9813676 0.76 CYP2D6 (0.39) LMNATSHRDAONAPRTPLA2G1B
Benzoic Acid SCHEMBL9813692 0.76 GAA (0.58) L3MBTL1TSHRDAONAPRTKMT2A
Benzoic Acid SCHEMBL9813611 0.75 CCR2 (0.38) TSHRDAONAPRTPLA2G1BATG4B
Benzoic Acid SCHEMBL9813632 0.75 PLA2G1B (0.38) LMNATSHRDAONAPRTPLA2G1B
Benzoic Acid SCHEMBL2806428 0.72 TSHR (0.64) LMNATSHRDAONAPRTPLA2G1B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0163245-B1 DERIVATIVES OF ALKYL-SUBSTITUTED 4-HYDROXY-METHYL-PIPERIDINE AND USE THEREOF AS STABILIZERS AUSIMONT S.r.l. (IT) 1991-07-31 EP disclosed
US-4772708-A STABILIZERS FOR POLYMERS AUSIMONT S.P.A. (IT) 1988-09-20 US disclosed
EP-0163245-A2 Derivatives of alkyl-substituted 4-hydroxy-methyl-piperidine and use thereof as stabilizers AUSIMONT S.r.l. (IT) 1985-12-04 EP disclosed