SCHEMBL8013752

SCHEMBL8013752

COCCO[C@@H](Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(=O)N1C(=O)OCC1Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.60
PPARA Q07869 1/20 0.60

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
SCHEMBL8010106 0.91 PPARG (0.70) PPARGPPARA
SCHEMBL8009934 0.88 PPARG (0.49) PPARGPPARA
SCHEMBL7826457 0.82 PPARG (0.83) PPARGPPARA
SCHEMBL4865298 0.82 PPARG (0.83) PPARGPPARA
SCHEMBL8007300 0.82 PPARG (0.73) PPARGPPARA
SCHEMBL7998098 0.80 PPARG (0.56) PPARGPPARA
SCHEMBL7825493 0.80 PPARG (0.73) PPARGPPARA
SCHEMBL9267167 0.78 PPARG (0.86) PPARGPPARA
SCHEMBL10211510 0.78 PPARG (0.86) PPARGPPARA
SCHEMBL9270271 0.77 PPARG (0.76) 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
US-6166049-A Use of an antagonist of PPARα and PPARγ for the treatment of syndrome X SMITHKLINE BEECHAM P.L.C. (GB) 2000-12-26 US disclosed