SCHEMBL13899475

SCHEMBL13899475

COC(=O)CN(C(=O)OCC(C)C)[C@H](C)c1ccc(OCc2noc(-c3ccccc3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.50
PPARA Q07869 15/20 0.50
PPARD Q03181 13/20 0.50
FFAR1 O14842 1/20 0.48
S1PR1 P21453 1/20 0.44
SMPD1 P17405 2/20 0.43
MAOB P27338 1/20 0.40

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
SCHEMBL10184378 1.00 PPARG (0.50) PPARGPPARAPPARDFFAR1S1PR1
SCHEMBL13899563 0.92 PPARG (0.50) PPARGPPARAPPARDFFAR1S1PR1
SCHEMBL13899547 0.92 PPARG (0.50) PPARGPPARAPPARDFFAR1S1PR1
SCHEMBL10185919 0.92 FFAR1 (0.53) PPARGPPARAPPARDFFAR1S1PR1
SCHEMBL10184745 0.92 FFAR1 (0.53) PPARGPPARAPPARDFFAR1S1PR1
SCHEMBL10184595 0.92 PPARA (0.54) PPARGPPARAPPARDFFAR1S1PR1
SCHEMBL10184744 0.92 PPARA (0.51) PPARGPPARAPPARDFFAR1
SCHEMBL13899531 0.88 PPARG (0.50) PPARGPPARAPPARDFFAR1S1PR1
SCHEMBL13906043 0.87 PPARG (0.51) PPARGPPARAPPARDFFAR1S1PR1
SCHEMBL13905998 0.87 PPARG (0.51) PPARGPPARAPPARDFFAR1S1PR1

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-7507757-B2 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-24 US disclosed