SCHEMBL13899563

SCHEMBL13899563

COC(=O)CN(C(=O)OCC(C)C)[C@H](C)c1ccc(OCc2noc(-c3ccc(C)cc3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.50
PPARA Q07869 14/20 0.50
PPARD Q03181 11/20 0.50
S1PR1 P21453 1/20 0.44
SPHK1 Q9NYA1 1/20 0.40
FFAR1 O14842 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
SPHK2 Q9NRA0 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL13899547 1.00 PPARG (0.50) PPARGPPARAPPARDS1PR1SPHK1
SCHEMBL13899475 0.92 PPARG (0.50) PPARGPPARAPPARDS1PR1FFAR1
SCHEMBL10184378 0.92 PPARG (0.50) PPARGPPARAPPARDS1PR1FFAR1
SCHEMBL10184424 0.92 PPARA (0.54) PPARGPPARAPPARDS1PR1FFAR1
SCHEMBL13899410 0.92 PPARA (0.54) PPARGPPARAPPARDS1PR1FFAR1
SCHEMBL13906073 0.90 PPARG (0.53) PPARGPPARAPPARDS1PR1SPHK1
SCHEMBL13906003 0.87 PPARG (0.51) PPARGPPARAPPARDS1PR1SPHK1
SCHEMBL10184601 0.85 PPARG (0.54) PPARGPPARAPPARDS1PR1FFAR1
SCHEMBL10184745 0.84 FFAR1 (0.53) PPARGPPARAPPARDS1PR1FFAR1
SCHEMBL10185919 0.84 FFAR1 (0.53) PPARGPPARAPPARDS1PR1FFAR1

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