SCHEMBL6530163

SCHEMBL6530163

Cc1cn(CC#Cc2ccc(C[C@H](Nc3ccccc3C(=O)c3ccccc3)C(=O)O)cc2)c(-c2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.56
PPARA Q07869 4/20 0.55
PPARD Q03181 1/20 0.52

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
SCHEMBL9751930 0.74 PPARG (0.79) PPARGPPARA
SCHEMBL6533895 0.74 PPARG (0.50) PPARGPPARA
SCHEMBL6528105 0.74 PPARA (0.40) PPARGPPARAPPARD
SCHEMBL290549 0.72 PPARG (0.76) PPARGPPARA
SCHEMBL2217249 0.72 PPARG (0.76) PPARGPPARA
SCHEMBL2785529 0.72 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL6530164 0.71 PPARG (0.34) PPARGPPARA
SCHEMBL2788829 0.71 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL6528869 0.71 PPARG (0.46) PPARGPPARA
SCHEMBL8335329 0.70 PPARG (0.72) 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-2005056536-A1 ANTIDIABETIC AGENTS WHICH EXHIBIT ACTIVITY AGAINST PPAR RANBAXY LABORATORIES LIMITED (IN) 2005-06-23 WO disclosed