Benzoic Acid

Benzoic Acid

SCHEMBL31376992

NCN.O=C(O)c1ccccc1.O=C(O)c1ccccc1

nearest known ligand 0.78

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 3/20 0.78
DAO P14920 1/20 0.78
NAPRT Q6XQN6 1/20 0.78
CES1 P23141 4/20 0.64
CES2 O00748 3/20 0.64
SRD5A2 P31213 2/20 0.64
TP53 P04637 1/20 0.58
CYP3A4 P08684 2/20 0.55
MAPT P10636 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
POLB P06746 1/20 0.55
PARP1 P09874 1/20 0.55
CYP2C19 P33261 1/20 0.55
RECQL P46063 1/20 0.55
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55
HSD17B10 Q99714 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 2/20 0.52
MAPK1 P28482 2/20 0.52

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 SCHEMBL10952729 0.92 TSHR (0.74) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL30599484 0.92 TSHR (0.74) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL11767340 0.92 TSHR (0.74) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL601642 0.90 TSHR (0.70) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL27807828 0.90 TSHR (0.70) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL11455168 0.90 TSHR (0.70) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL1573399 0.90 TSHR (0.70) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL3044510 0.88 TSHR (0.88) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL6869498 0.88 TSHR (0.88) TSHRDAONAPRTCES1CES2
Terephthalic Acid SCHEMBL10455009 0.88 TSHR (0.75) TSHRDAONAPRTCES1CES2

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-119462732-A Method, material and application for improving stability of metal halide perovskite 西湖大学 2025-02-18 CN claimed
CN-119462732-A Method, material and application for improving stability of metal halide perovskite 西湖大学 2025-02-18 CN disclosed