Salicylic Acid

Salicylic Acid

SCHEMBL9718913

C=C(C)C(N)=O.O=C(O)c1ccccc1O

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHE

The experimentally established mechanism targets of Salicylic 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 6/20 0.67
KDM4E B2RXH2 6/20 0.67
HPGD P15428 6/20 0.67
CA1 P00915 4/20 0.67
CA9 Q16790 4/20 0.67
CA12 O43570 3/20 0.67
CA2 P00918 3/20 0.67
CA4 P22748 3/20 0.67
CA7 P43166 3/20 0.67
HMGB1 P09429 1/20 0.67
CA6 P23280 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
NAPRT Q6XQN6 1/20 0.67
CA14 Q9ULX7 1/20 0.67
HSD17B10 Q99714 4/20 0.53
TSHR P16473 2/20 0.53
MAPT P10636 2/20 0.53
G6PD P11413 1/20 0.48
CASP7 P55210 1/20 0.48
CASP6 P55212 1/20 0.48

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
Salicylic Acid SCHEMBL10777436 0.89 ALDH1A1 (0.72) ALDH1A1KDM4EHPGDCA1CA9
Phthalic Acid SCHEMBL28139807 0.88 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDCA1CA9
Salicylic Acid SCHEMBL5693247 0.88 ALDH1A1 (0.78) ALDH1A1KDM4EHPGDCA1CA9
Salicylic Acid SCHEMBL28189123 0.86 ALDH1A1 (0.82) ALDH1A1KDM4EHPGDCA1CA9
Salicylic Acid SCHEMBL4827260 0.84 ALDH1A1 (0.86) ALDH1A1KDM4EHPGDCA1CA9
Salicylic Acid SCHEMBL1810677 0.84 ALDH1A1 (0.86) ALDH1A1KDM4EHPGDCA1CA9
Salicylic Acid SCHEMBL19209758 0.84 ALDH1A1 (0.86) ALDH1A1KDM4EHPGDCA1CA9
Salicylic Acid SCHEMBL5874635 0.84 ALDH1A1 (0.86) ALDH1A1KDM4EHPGDCA1CA9
Catechol SCHEMBL29004862 0.84 TDP1 (0.57) ALDH1A1KDM4EHPGDCA1CA9
Salicylic Acid SCHEMBL1193531 0.84 ALDH1A1 (0.86) ALDH1A1KDM4EHPGDCA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4021618-A None JP disclosed
JP-62240620-A None JP disclosed
JP-2009807-A None JP disclosed
JP-H0421618-A DENTAL ADHESIVE OF PHOTOPOLYMERIZATION TYPE AND ADHESIVE KIT SOGO SHIKA IRYO KENKYUSHO:KK 1992-01-24 JP disclosed
JP-H029807-A DENTINE-PROTECTING COMPOSITION SOGO SHIKA IRYO KENKYUSHO:KK 1990-01-12 JP disclosed
JP-S62240620-A SEDATIVE FOR TOOTHACHE CONTAINING N-METHACRYLOYL-AMINOSALICYLIC ACID MASUHARA HIDEKAZU 1987-10-21 JP disclosed