Salicylic Acid

Salicylic Acid

SCHEMBL9539705

CN1c2c(Br)cc(O)cc2C2(C)CCNC12.O=C(O)c1ccccc1O

nearest known ligand 0.42

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 8/20 0.42
BCHE P06276 6/20 0.42
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
HMGB1 P09429 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
CA14 Q9ULX7 1/20 0.35
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34

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
SCHEMBL9538106 0.85 ACHE (0.41) ACHEBCHEKDM4EHIF1AHSD17B10
SCHEMBL9539709 0.83 ACHE (0.47) ACHEBCHEKDM4EALDH1A1HPGD
Salicylic Acid SCHEMBL9537204 0.79 BCHE (0.45) ACHEBCHEKDM4EALDH1A1HPGD
Salicylic Acid SCHEMBL9536737 0.77 BCHE (0.44) ACHEBCHEKDM4EALDH1A1HPGD
Salicylic Acid SCHEMBL9538265 0.76 BCHE (0.48) ACHEBCHEOPRM1OPRD1OPRK1
Salicylic Acid SCHEMBL9541177 0.76 BCHE (0.43) ACHEBCHEKDM4EALDH1A1HPGD
Salicylic Acid SCHEMBL9538863 0.75 KDM4E (0.42) ACHEBCHEKDM4EALDH1A1HPGD
SCHEMBL2455701 0.68 ACHE (0.37) ACHEBCHEKDM4EHIF1AHSD17B10
SCHEMBL12797973 0.66 ACHE (0.60) ACHEBCHEKDM4EALDH1A1SMN1; SMN2
Acetic Acid SCHEMBL2598855 0.66 KDM4E (0.54) ACHEBCHEKDM4EALDH1A1SMN1; SMN2

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