SCHEMBL9394182

SCHEMBL9394182

CN(CCOc1ccc(C=C(C(=O)O)C(=O)O)cc1)c1nc2ccccc2o1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.65
PPARA Q07869 2/20 0.61

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
SCHEMBL9086547 0.91 PPARG (0.67) PPARGPPARA
SCHEMBL9086542 0.91 PPARG (0.67) PPARGPPARA
SCHEMBL7904698 0.90 PPARG (0.66) PPARGPPARA
SCHEMBL9389108 0.88 PPARG (0.61) PPARGPPARA
SCHEMBL9389106 0.88 PPARG (0.61) PPARGPPARA
SCHEMBL8056865 0.87 PPARG (0.59) PPARGPPARA
SCHEMBL8056861 0.87 PPARG (0.59) PPARGPPARA
SCHEMBL4744468 0.85 PPARG (0.63) PPARGPPARA
SCHEMBL7826289 0.82 PPARG (0.68) PPARGPPARA
SCHEMBL9085087 0.80 PPARG (0.81) 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