SCHEMBL7830197

SCHEMBL7830197

COc1cc(OCCN(C)c2nc3ccccc3o2)ccc1C=O

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.57
PPARA Q07869 2/20 0.52
MAOB P27338 2/20 0.48

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
SCHEMBL8429668 0.86 PPARG (0.53) PPARGPPARA
SCHEMBL4744468 0.83 PPARG (0.63) PPARGPPARA
SCHEMBL8716289 0.81 PPARG (0.48) PPARGPPARA
SCHEMBL8716282 0.80 PPARG (0.47) PPARGPPARA
SCHEMBL7826285 0.80 PPARG (0.68) PPARGPPARA
SCHEMBL6802249 0.78 PPARG (0.57) PPARGPPARA
SCHEMBL7825286 0.77 PPARG (0.74) PPARGPPARA
SCHEMBL6806357 0.77 ATP4A (0.57) PPARGPPARA
SCHEMBL7826101 0.76 PPARG (0.63) PPARGPPARA
SCHEMBL15474984 0.76 MAOB (0.62) MAOB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0648212-B1 BENZOXAZOLE AND BENZOTHIAZOLE DERIVATIVES AS PHARMACEUTICAL SMITHKLINE BEECHAM PLC (GB) 2001-10-24 EP disclosed
EP-1000938-A1 Heterocyclic compounds as pharmaceuticals SMITHKLINE BEECHAM PLC (GB) 2000-05-17 EP disclosed
US-6048883-A HYPOGLYCEMIC AGENT SMITHKLINE BEECHAM P.L.C. (GB) 2000-04-11 US disclosed
EP-0648212-A1 HETEROCYCLIC COMPOUNDS AS PHARMACEUTICAL SMITHKLINE BEECHAM PLC (GB) 1995-04-19 EP disclosed
WO-1994001420-A1 HETEROCYCLIC COMPOUNDS AS PHARMACEUTICAL SMITHKLINE BEECHAM PLC (GB) 1994-01-20 WO disclosed