Salicylic Acid

Salicylic Acid

SCHEMBL9538396

CN1c2ccc(O)cc2C2(C)CCN(CCc3ccccc3)C12.O=C(O)c1ccccc1O

nearest known ligand 0.61

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 8)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 6/20 0.61
BCHE P06276 6/20 0.61
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
HPGD P15428 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HIF1A Q16665 1/20 0.55
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL9537191 0.90 BCHE (0.66) BCHEACHEKDM4EHIF1AHSD17B10
SCHEMBL8827805 0.90 BCHE (0.66) BCHEACHEKDM4EHIF1AHSD17B10
SCHEMBL8827803 0.90 BCHE (0.66) BCHEACHEKDM4EHIF1AHSD17B10
Salicylic Acid SCHEMBL9541012 0.87 KDM4E (0.55) BCHEACHEKDM4EALDH1A1HPGD
Salicylic Acid SCHEMBL9539721 0.86 BCHE (0.57) BCHEACHEKDM4EALDH1A1HPGD
Salicylic Acid SCHEMBL8827810 0.85 KDM4E (0.72) BCHEACHEKDM4EALDH1A1HPGD
SCHEMBL9538390 0.85 BCHE (0.73) BCHEACHE
Salicylic Acid SCHEMBL9538265 0.85 BCHE (0.48) BCHEACHE
SCHEMBL9013963 0.79 BCHE (0.64) BCHEACHE
SCHEMBL8863731 0.76 BCHE (0.72) BCHEACHE

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