SCHEMBL13899206

SCHEMBL13899206

CC(C)COC(=O)N(CC(=O)O)[C@@H](C)c1ccc(OCCc2noc(Cc3ccccc3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 12/20 0.41
PRSS2 P07478 12/20 0.41
PRSS3 P35030 12/20 0.41
TPSAB1 Q15661 12/20 0.41
F2 P00734 1/20 0.41
PLG P00747 1/20 0.41
KLKB1 P03952 1/20 0.41
PPARG P37231 4/20 0.41
PPARA Q07869 4/20 0.41
PPARD Q03181 1/20 0.37
LTA4H P09960 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
SCHEMBL13899415 0.93 PPARA (0.44) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL10183888 0.86 PPARA (0.54) PPARGPPARAPPARD
SCHEMBL13899412 0.82 PPARA (0.47) PPARGPPARAPPARD
SCHEMBL13899414 0.81 PPARA (0.55) PPARGPPARAPPARD
SCHEMBL10184744 0.79 PPARA (0.51) PPARGPPARAPPARD
SCHEMBL10184745 0.78 FFAR1 (0.53) PPARGPPARAPPARD
SCHEMBL10185919 0.78 FFAR1 (0.53) PPARGPPARAPPARD
SCHEMBL13906064 0.77 PPARA (0.52) PPARGPPARAPPARD
SCHEMBL13899200 0.75 PPARA (0.55) PPARGPPARAPPARD
SCHEMBL10185910 0.74 PPARA (0.53) PPARGPPARAPPARD

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