Salicylic Acid

Salicylic Acid

SCHEMBL982277

CCO.O=C([O-])c1ccccc1O.O=C([O-])c1ccccc1O.O=C([O-])c1ccccc1O.[Ga+3]

nearest known ligand 0.73

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
KDM4E B2RXH2 7/20 0.73
HPGD P15428 5/20 0.73
ALDH1A1 P00352 5/20 0.73
GAA P10253 3/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
CA1 P00915 2/20 0.48
CA9 Q16790 2/20 0.48
CA12 O43570 1/20 0.48
CA2 P00918 1/20 0.48
HMGB1 P09429 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA7 P43166 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
CA14 Q9ULX7 1/20 0.48
TSHR P16473 3/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 3/20 0.47
HSD17B10 Q99714 2/20 0.47
KMT2A Q03164 3/20 0.45

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 SCHEMBL18340669 0.96 KDM4E (0.80) KDM4EHPGDALDH1A1GAASMN1; SMN2
Salicylic Acid SCHEMBL980589 0.89 KDM4E (0.91) KDM4EHPGDALDH1A1GAASMN1; SMN2
Salicylic Acid SCHEMBL11342550 0.88 KDM4E (0.73) KDM4EHPGDALDH1A1GAASMN1; SMN2
Salicylic Acid SCHEMBL6249450 0.87 KDM4E (0.95) KDM4EHPGDALDH1A1GAASMN1; SMN2
Salicylic Acid SCHEMBL27502941 0.86 KDM4E (0.77) KDM4EHPGDALDH1A1GAASMN1; SMN2
Salicylic Acid SCHEMBL299753 0.85 KDM4E (0.91) KDM4EHPGDALDH1A1GAASMN1; SMN2
Salicylic Acid SCHEMBL3399561 0.85 KDM4E (0.91) KDM4EHPGDALDH1A1GAASMN1; SMN2
Salicylic Acid SCHEMBL5142971 0.85 KDM4E (0.91) KDM4EHPGDALDH1A1GAASMN1; SMN2
Salicylic Acid SCHEMBL1932763 0.85 KDM4E (0.91) KDM4EHPGDALDH1A1GAASMN1; SMN2
Salicylic Acid SCHEMBL217212 0.85 KDM4E (0.91) KDM4EHPGDALDH1A1GAASMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140031328-A1 Gallium compounds and methods of use to treat inflammatory bowel disease BERNSTEIN LAWRENCE RICHARD (US) 2014-01-30 US claimed
US-20110021484-A1 Gallium compounds and methods of use to treat inflammatory bowel disease BERNSTEIN LAWRENCE RICHARD 2011-01-27 US claimed
EP-2262509-A2 GALLIUM COMPOUNDS AND METHODS OF USE TO TREAT INFLAMMATORY BOWEL DISEASE Bernstein, Lawrence (US) 2010-12-22 EP claimed
WO-2009111681-A2 GALLIUM COMPOUNDS AND METHODS OF USE TO TREAT INFLAMMATORY BOWEL DISEASE BERNSTEIN LAWRENCE (US) 2009-09-11 WO claimed
US-20140031328-A1 Gallium compounds and methods of use to treat inflammatory bowel disease BERNSTEIN LAWRENCE RICHARD (US) 2014-01-30 US disclosed
US-20110021484-A1 Gallium compounds and methods of use to treat inflammatory bowel disease BERNSTEIN LAWRENCE RICHARD 2011-01-27 US disclosed
EP-2262509-A2 GALLIUM COMPOUNDS AND METHODS OF USE TO TREAT INFLAMMATORY BOWEL DISEASE Bernstein, Lawrence (US) 2010-12-22 EP disclosed
WO-2009111681-A2 GALLIUM COMPOUNDS AND METHODS OF USE TO TREAT INFLAMMATORY BOWEL DISEASE BERNSTEIN LAWRENCE (US) 2009-09-11 WO disclosed
EP-1857460-A2 New metal complexes, method of preparing them and therapeutic uses for them SOCIETE DE COORDINATION DE RECHERCHES THERAPEUTIQUES (FR) 2007-11-21 EP disclosed