Benzoic Acid

Benzoic Acid

SCHEMBL10942201

O=C(O)c1ccccc1.c1ccc(CNCc2ccccc2)cc1

nearest known ligand 0.63

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
ALDH1A1 P00352 2/20 0.63
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
DAO P14920 1/20 0.61
TSHR P16473 1/20 0.61
NAPRT Q6XQN6 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MEP1B Q16820 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KDM4E B2RXH2 1/20 0.53
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
SRD5A2 P31213 1/20 0.52
TP53 P04637 1/20 0.52
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL4745543 0.94 ALDH1A1 (0.72) ALDH1A1HDAC8HDAC6DAOTSHR
Hydrochloric Acid SCHEMBL28066263 0.92 ALDH1A1 (0.70) ALDH1A1HDAC8HDAC6SMN1; SMN2KMT2A
Benzophenone SCHEMBL29263944 0.87 HDAC8 (0.61) ALDH1A1HDAC8HDAC6SMN1; SMN2MEN1
4-Methylbenzoic Acid SCHEMBL31121234 0.87 SMN1; SMN2 (0.61) ALDH1A1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL3503996 0.86 ALDH1A1 (0.81) ALDH1A1HDAC8HDAC6TSHRSMN1; SMN2
Bicarbonate SCHEMBL23420914 0.86 HDAC8 (0.64) HDAC8HDAC6SMN1; SMN2MEN1KMT2A
Bicarbonate SCHEMBL11577277 0.86 HDAC8 (0.64) HDAC8HDAC6SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL15392980 0.84 ALDH1A1 (0.78) ALDH1A1HDAC8HDAC6TSHRSMN1; SMN2
SCHEMBL20846406 0.84 EPHX2 (0.73) ALDH1A1HDAC8HDAC6SMN1; SMN2KMT2A
Benzylhydrazine SCHEMBL27602656 0.83 IDO1 (0.68) ALDH1A1DAOTSHRNAPRTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111925581-A Polyethylene pipe with rat bite prevention function and preparation method thereof 日丰企业(佛山)有限公司 2020-11-13 CN claimed
CN-122094832-A Rust-proof film 2026-05-26 CN disclosed
EP-4692215-A1 MODIFIED POLYOLEFIN RESIN COMPOSITION AND USE FOR SAID RESIN COMPOSITION TOYOBO MC Corporation (JP) 2026-02-11 EP disclosed
WO-2024203664-A1 MODIFIED POLYOLEFIN RESIN COMPOSITION AND USE FOR SAID RESIN COMPOSITION 東洋紡エムシー株式会社 2024-10-03 WO disclosed
CN-111925581-A Polyethylene pipe with rat bite prevention function and preparation method thereof 日丰企业(佛山)有限公司 2020-11-13 CN disclosed
US-4514415-A ANALGESICS CIBA GEIGY CORPORATION (US) 1985-04-30 US disclosed
US-4451462-A Method of treating inflammation and pain using heteramino benzofurans CIBA-GEIGY CORPORATION (US) 1984-05-29 US disclosed
EP-0107620-A1 Phenol derivatives CIBA-GEIGY AG (CH) 1984-05-02 EP disclosed
US-4426380-A ANTIINFLAMMATORY, ANALGESIC, SUNSCREEN CIBA-GEIGY CORPORATION (US) 1984-01-17 US disclosed
EP-0082109-A2 Substituted 2-hydroxyphenylacetic acids and derivatives of them CIBA-GEIGY AG (CH) 1983-06-22 EP disclosed
EP-0078240-A2 Lactones CIBA-GEIGY AG (CH) 1983-05-04 EP disclosed
EP-0078241-A2 Furanes CIBA-GEIGY AG (CH) 1983-05-04 EP disclosed