SCHEMBL4601397

SCHEMBL4601397

COCCOc1ccc(CCCS(=O)(=O)NCC(c2ccccc2)c2ccccc2)c(OCC2CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.41
DUT P33316 14/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 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
SCHEMBL4602019 0.88 PPARG (0.45) PPARGDUTCNR1CNR2
SCHEMBL4634146 0.84 PPARG (0.46) PPARGDUTCNR1CNR2
SCHEMBL4602971 0.83 PPARG (0.41) PPARGDUT
SCHEMBL4600676 0.83 PPARG (0.44) PPARGCNR1CNR2
SCHEMBL4602109 0.77 GPR84 (0.43) PPARG
SCHEMBL3206932 0.76 PPARG (0.61) PPARGCNR1CNR2
SCHEMBL4601014 0.76 GPR84 (0.42) PPARG
SCHEMBL4602988 0.75 FFAR1 (0.53) PPARGCNR1CNR2
SCHEMBL3212943 0.75 CNR2 (0.44) PPARGCNR1CNR2
SCHEMBL27737205 0.74 PPARG (0.43) PPARGCNR1CNR2

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
EP-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 EP disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 WO disclosed