Salicylic Acid

Salicylic Acid

SCHEMBL8575735

CC(C)CCOC(=O)c1ccc(N(C)C)cc1.O=C(O)c1ccccc1O

nearest known ligand 0.72

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 7/20 0.51
HPGD P15428 5/20 0.51
MAPT P10636 3/20 0.51
HSD17B10 Q99714 4/20 0.46
MAPK1 P28482 4/20 0.46
PKM P14618 2/20 0.46
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HMGB1 P09429 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL59872 0.85 HSD17B10 (0.60) ALDH1A1HPGDMAPTHSD17B10MAPK1
Ethane SCHEMBL27801588 0.84 HSD17B10 (0.58) ALDH1A1HPGDMAPTHSD17B10MAPK1
Padimate O SCHEMBL5669080 0.78 ALDH1A1 (0.76) ALDH1A1HPGDMAPTHSD17B10MAPK1
Oxybenzone SCHEMBL10392134 0.78 HPGD (0.58) ALDH1A1HPGDMAPTMAPK1PKM
SCHEMBL113328 0.78 TDP1 (0.67) ALDH1A1HSD17B10MAPK1PKMLMNA
SCHEMBL17978239 0.78 TDP1 (0.67) ALDH1A1HSD17B10MAPK1PKMLMNA
SCHEMBL29449291 0.78 TDP1 (0.67) ALDH1A1HSD17B10MAPK1PKMLMNA
Benzoic Acid 1-(3-Methyl)Butyl Ester SCHEMBL132524 0.76 LMNA (0.65) ALDH1A1HSD17B10MAPK1PKMLMNA
Benzoic Acid 1-(3-Methyl)Butyl Ester SCHEMBL28250108 0.76 LMNA (0.65) ALDH1A1HSD17B10MAPK1PKMLMNA
SCHEMBL384494 0.76 ALDH1A1 (0.54) ALDH1A1HPGDMAPTHSD17B10MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5833961-A CROSSLINKED POLYESTERS AND TWO ORGANIC ACTIVE SUNSCREEN AGENTS; SYNERGISTIC INCREASE IN SOLUBILITY; NON-IRRITATING; WATER REPELLENCY INOLEX INVESTMENT CORPORATION (US) 1998-11-10 US disclosed