SCHEMBL13063616

SCHEMBL13063616

CCOC(=O)C[C@@H]1CCc2cc(OCCc3nc(-c4ccc(C(=O)c5ccccc5)cc4)oc3CC)ccc21

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.75
PPARA Q07869 20/20 0.75

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
SCHEMBL9910307 0.92 PPARG (0.88) PPARGPPARA
SCHEMBL13063361 0.92 PPARG (0.88) PPARGPPARA
SCHEMBL9910128 0.90 PPARG (0.75) PPARGPPARA
SCHEMBL9910338 0.90 PPARG (0.75) PPARGPPARA
SCHEMBL13063617 0.89 PPARG (0.74) PPARGPPARA
SCHEMBL9910023 0.87 PPARG (0.70) PPARGPPARA
SCHEMBL1980817 0.86 PPARG (0.84) PPARGPPARA
SCHEMBL6816953 0.86 PPARG (1.00) PPARGPPARA
SCHEMBL4682761 0.86 PPARG (1.00) PPARGPPARA
SCHEMBL6817020 0.85 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-2010141690-A2 INDANE ANALOGS AND USE AS PHARMACEUTICAL AGENTS AND PROCESS OF MAKING DARA BIOSCIENCES, INC. (US) 2010-12-09 WO disclosed