Salicylic Acid

Salicylic Acid

SCHEMBL9541177

CN1c2c(Br)cc(O)cc2C2(C)CCN(CC3CC3)C12.O=C(O)c1ccccc1O

nearest known ligand 0.43

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 13)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 3/20 0.43
BCHE P06276 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
OPRD1 P41143 11/20 0.41
OPRM1 P35372 10/20 0.41
OPRK1 P41145 10/20 0.41
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39

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 SCHEMBL9537204 0.91 BCHE (0.45) BCHEACHEKDM4EALDH1A1HPGD
Salicylic Acid SCHEMBL9536737 0.89 BCHE (0.44) BCHEACHEKDM4EALDH1A1HPGD
Salicylic Acid SCHEMBL9538265 0.88 BCHE (0.48) BCHEACHEOPRD1OPRM1OPRK1
SCHEMBL8827729 0.87 OPRK1 (0.47) KDM4EHIF1AHSD17B10OPRD1OPRM1
SCHEMBL2455699 0.87 OPRK1 (0.47) KDM4EHIF1AHSD17B10OPRD1OPRM1
SCHEMBL9537861 0.87 OPRK1 (0.47) KDM4EHIF1AHSD17B10OPRD1OPRM1
Salicylic Acid SCHEMBL9538863 0.86 KDM4E (0.42) BCHEACHEKDM4EALDH1A1HPGD
Salicylic Acid SCHEMBL9541012 0.85 KDM4E (0.55) BCHEACHEKDM4EALDH1A1HPGD
SCHEMBL9541181 0.84 BCHE (0.42) BCHEACHEKDM4EALDH1A1HPGD
SCHEMBL9539147 0.78 OPRM1 (0.44) KDM4EHIF1AHSD17B10OPRD1OPRM1

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-5187165-A Eseroline derivatives; cholinergic agents; antidepressants HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1993-02-16 US disclosed