SCHEMBL13899414

SCHEMBL13899414

CC(C)COC(=O)N(CC(=O)O)[C@@H](C)c1ccc(OCCc2noc(-c3ccc(Cl)cc3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.55
PPARG P37231 18/20 0.55
PPARD Q03181 4/20 0.45
S1PR1 P21453 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
SCHEMBL13899412 0.93 PPARA (0.47) PPARAPPARGPPARDS1PR1
SCHEMBL10183888 0.93 PPARA (0.54) PPARAPPARGPPARD
SCHEMBL13899415 0.87 PPARA (0.44) PPARAPPARGPPARD
SCHEMBL10184744 0.85 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL10184424 0.84 PPARA (0.54) PPARAPPARGPPARDS1PR1
SCHEMBL13899410 0.84 PPARA (0.54) PPARAPPARGPPARDS1PR1
SCHEMBL10184745 0.84 FFAR1 (0.53) PPARAPPARGPPARDS1PR1
SCHEMBL10185919 0.84 FFAR1 (0.53) PPARAPPARGPPARDS1PR1
SCHEMBL13899197 0.84 PPARA (0.55) PPARAPPARGPPARDS1PR1
SCHEMBL13906064 0.83 PPARA (0.52) PPARAPPARGPPARDS1PR1

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