SCHEMBL4553762

SCHEMBL4553762

CCCCOC(=O)NS(=O)(=O)CCc1c(C)nn(C)c1-n1ccc2ccc(Cl)cc21

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 12/20 0.37
AGTR1 P30556 4/20 0.36
PPARG P37231 4/20 0.36
MCL1 Q07820 2/20 0.35

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
SCHEMBL4554438 0.95 MAPK8 (0.35) AGTR2PPARGMCL1
SCHEMBL4554740 0.94 AGTR2 (0.37) AGTR2AGTR1PPARGMCL1
SCHEMBL4554505 0.86 NPY5R (0.34) AGTR2MCL1
SCHEMBL5115435 0.86 KMO (0.38) PPARGMCL1
SCHEMBL963019 0.86 TP53 (0.37) PPARGMCL1
SCHEMBL4555122 0.86 MAPK8 (0.37) MCL1
SCHEMBL4554828 0.84 AGTR2 (0.38) AGTR2AGTR1PPARGMCL1
SCHEMBL966058 0.84 TP53 (0.38) PPARGMCL1
SCHEMBL4553883 0.81 SMN1; SMN2 (0.33) PPARGMCL1
SCHEMBL4553444 0.81 SMN1; SMN2 (0.44) PPARGMCL1

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-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed