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Sugi Predict / Compounds / SCHEMBL4554740

SCHEMBL4554740

SCHEMBL4554740

CCCCOC(=O)NS(=O)(=O)CCc1c(C)nn(C)c1-n1ccc2cc(Cl)ccc21

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AGTR2 P50052 13/20 0.37
▸ AGTR1 P30556 4/20 0.36
▸ PPARG P37231 3/20 0.36
▸ PLA2G4A P47712 1/20 0.35
▸ MCL1 Q07820 1/20 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
SCHEMBL4553762 0.94 AGTR2 (0.37) AGTR2AGTR1PPARGMCL1
SCHEMBL4555122 0.93 MAPK8 (0.37) PLA2G4AMCL1
SCHEMBL4554828 0.91 AGTR2 (0.38) AGTR2AGTR1PPARGPLA2G4AMCL1
SCHEMBL4554438 0.89 MAPK8 (0.35) AGTR2PPARGPLA2G4AMCL1
SCHEMBL4553883 0.87 SMN1; SMN2 (0.33) PPARGPLA2G4AMCL1
SCHEMBL4553444 0.87 SMN1; SMN2 (0.44) PPARGPLA2G4AMCL1
SCHEMBL964454 0.87 PPARG (0.42) PPARG
SCHEMBL4554652 0.86 GABRA1 (0.36) AGTR2PLA2G4AMCL1
SCHEMBL4570493 0.86 PHGDH (0.36) PLA2G4AMCL1
SCHEMBL964880 0.86 TP53 (0.37) PPARGPLA2G4AMCL1

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