SCHEMBL13899200

SCHEMBL13899200

Cc1ccccc1-c1nc(COc2ccc([C@H](C)N(CC(=O)O)C(=O)OCC(C)C)cc2)no1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.55
PPARG P37231 15/20 0.55
PPARD Q03181 10/20 0.55
FFAR1 O14842 1/20 0.42
ADORA2B P29275 1/20 0.41
S1PR1 P21453 1/20 0.40
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL10184745 0.90 FFAR1 (0.53) PPARAPPARGPPARDFFAR1S1PR1
SCHEMBL10185919 0.90 FFAR1 (0.53) PPARAPPARGPPARDFFAR1S1PR1
SCHEMBL13899410 0.86 PPARA (0.54) PPARAPPARGPPARDFFAR1S1PR1
SCHEMBL10184424 0.86 PPARA (0.54) PPARAPPARGPPARDFFAR1S1PR1
SCHEMBL13899197 0.83 PPARA (0.55) PPARAPPARGPPARDFFAR1S1PR1
SCHEMBL10184378 0.82 PPARG (0.50) PPARAPPARGPPARDFFAR1S1PR1
SCHEMBL13899475 0.82 PPARG (0.50) PPARAPPARGPPARDFFAR1S1PR1
SCHEMBL10183888 0.81 PPARA (0.54) PPARAPPARGPPARDFFAR1
SCHEMBL13899456 0.81 PPARG (0.49) PPARAPPARGPPARDFFAR1ADORA2B
SCHEMBL10185854 0.80 PPARA (0.56) PPARAPPARGPPARDFFAR1ADORA2B

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