SCHEMBL9394192

SCHEMBL9394192

CN(CCOc1ccc(C2OC(=O)CC(=O)O2)cc1)c1nc2ccccc2o1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.59
PPARA Q07869 1/20 0.53

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
SCHEMBL7530200 0.79 PPARG (0.58) PPARGPPARA
SCHEMBL9213186 0.78 PPARG (0.53) PPARGPPARA
SCHEMBL9084515 0.78 PPARG (0.53) PPARGPPARA
SCHEMBL4744468 0.78 PPARG (0.63) PPARGPPARA
SCHEMBL7826289 0.77 PPARG (0.68) PPARGPPARA
SCHEMBL7826285 0.77 PPARG (0.68) PPARGPPARA
SCHEMBL1073733 0.76 PPARG (0.58) PPARGPPARA
SCHEMBL9085087 0.76 PPARG (0.81) PPARGPPARA
SCHEMBL9086233 0.75 PPARG (0.80) PPARGPPARA
SCHEMBL7826761 0.75 PPARG (0.74) PPARGPPARA

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
WO-1994013650-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SMITHKLINE BEECHAM PLC (GB) 1994-06-23 WO disclosed