Salicylic Acid

Salicylic Acid

SCHEMBL9537204

CCN1CCC2(C)c3cc(O)cc(Br)c3N(C)C12.O=C(O)c1ccccc1O

nearest known ligand 0.45

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
ACHE known ✓ P22303 4/20 0.45
BCHE P06276 4/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45
G6PD P11413 1/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
OPRM1 P35372 7/20 0.37
OPRD1 P41143 5/20 0.37
OPRK1 P41145 5/20 0.37
SIGMAR1 Q99720 3/20 0.37

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 SCHEMBL9536737 0.94 BCHE (0.44) BCHEACHEKDM4EALDH1A1HPGD
Salicylic Acid SCHEMBL9538265 0.91 BCHE (0.48) BCHEACHEOPRM1OPRD1OPRK1
Salicylic Acid SCHEMBL9541177 0.91 BCHE (0.43) BCHEACHEKDM4EALDH1A1HPGD
Salicylic Acid SCHEMBL9538863 0.89 KDM4E (0.42) BCHEACHEKDM4EALDH1A1HPGD
SCHEMBL9539147 0.87 OPRM1 (0.44) KDM4EHIF1AHSD17B10MAPTOPRM1
SCHEMBL9537208 0.83 ACHE (0.44) BCHEACHEKDM4EALDH1A1HPGD
SCHEMBL2459774 0.80 OPRM1 (0.53) BCHEACHEOPRM1OPRD1OPRK1
SCHEMBL9537741 0.80 OPRM1 (0.53) BCHEACHEOPRM1OPRD1OPRK1
SCHEMBL2459773 0.80 OPRM1 (0.53) BCHEACHEOPRM1OPRD1OPRK1
SCHEMBL9537701 0.79 OPRM1 (0.47) KDM4EHIF1AHSD17B10MAPTOPRM1

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