SCHEMBL13899415

SCHEMBL13899415

CC(C)COC(=O)N(CC(=O)O)[C@@H](C)c1ccc(OCCc2noc(Cc3ccc(Cl)cc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.44
PPARG P37231 9/20 0.44
PRSS1 P07477 7/20 0.41
PRSS2 P07478 7/20 0.41
PRSS3 P35030 7/20 0.41
TPSAB1 Q15661 7/20 0.41
MAPT P10636 1/20 0.40
PPARD Q03181 1/20 0.39
FFAR1 O14842 1/20 0.37
F2 P00734 1/20 0.37
PLG P00747 1/20 0.37
KLKB1 P03952 1/20 0.37

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
SCHEMBL13899206 0.93 PRSS1 (0.41) PPARAPPARGPRSS1PRSS2PRSS3
SCHEMBL10184538 0.90 PPARA (0.35) PPARAPPARGPRSS1PRSS2PRSS3
SCHEMBL13899414 0.87 PPARA (0.55) PPARAPPARGPPARD
SCHEMBL10183888 0.81 PPARA (0.54) PPARAPPARGPPARDFFAR1
SCHEMBL13899412 0.80 PPARA (0.47) PPARAPPARGPPARDFFAR1
SCHEMBL10184744 0.74 PPARA (0.51) PPARAPPARGPPARDFFAR1
SCHEMBL10185919 0.72 FFAR1 (0.53) PPARAPPARGPPARDFFAR1
SCHEMBL10184745 0.72 FFAR1 (0.53) PPARAPPARGPPARDFFAR1
SCHEMBL13906064 0.72 PPARA (0.52) PPARAPPARGPPARDFFAR1
SCHEMBL10184320 0.71 PPARA (0.36) PPARAPPARG

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