SCHEMBL13899197

SCHEMBL13899197

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

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.55
PPARG P37231 15/20 0.55
PPARD Q03181 11/20 0.55
S1PR1 P21453 1/20 0.45
FFAR1 O14842 1/20 0.43
SPHK2 Q9NRA0 1/20 0.42
SPHK1 Q9NYA1 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
SCHEMBL13899410 0.91 PPARA (0.54) PPARAPPARGPPARDS1PR1FFAR1
SCHEMBL10184424 0.91 PPARA (0.54) PPARAPPARGPPARDS1PR1FFAR1
SCHEMBL10185919 0.91 FFAR1 (0.53) PPARAPPARGPPARDS1PR1FFAR1
SCHEMBL10184745 0.91 FFAR1 (0.53) PPARAPPARGPPARDS1PR1FFAR1
SCHEMBL13899456 0.85 PPARG (0.49) PPARAPPARGPPARDFFAR1SPHK2
SCHEMBL13899412 0.84 PPARA (0.47) PPARAPPARGPPARDS1PR1FFAR1
SCHEMBL10183888 0.84 PPARA (0.54) PPARAPPARGPPARDFFAR1
SCHEMBL13899414 0.84 PPARA (0.55) PPARAPPARGPPARDS1PR1
SCHEMBL13899475 0.83 PPARG (0.50) PPARAPPARGPPARDS1PR1FFAR1
SCHEMBL10184378 0.83 PPARG (0.50) PPARAPPARGPPARDS1PR1FFAR1

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