SCHEMBL4306343

SCHEMBL4306343

CCCCc1nc(C)n(CC23CC4CC(CC(C4)C2)C3)c(=O)c1Cc1ccc(-c2ccccc2)c(-c2noc(=O)[nH]2)c1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.48
AGTR1 P30556 4/20 0.45
SLC33A1 O00400 2/20 0.45

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
SCHEMBL1890139 0.92 PPARG (0.55) PPARGAGTR1SLC33A1
SCHEMBL1892368 0.91 PPARG (0.54) PPARGAGTR1SLC33A1
Bromide SCHEMBL1889590 0.91 PPARG (0.54) PPARGAGTR1SLC33A1
SCHEMBL1890605 0.91 PPARG (0.54) PPARGAGTR1SLC33A1
Hydrochloric Acid SCHEMBL1887751 0.91 PPARG (0.54) PPARGAGTR1SLC33A1
SCHEMBL4017161 0.83 PPARG (0.52) PPARGAGTR1
SCHEMBL1888938 0.82 AGTR1 (0.58) PPARGAGTR1SLC33A1
SCHEMBL4016512 0.81 PPARG (0.48) PPARGAGTR1SLC33A1
SCHEMBL4445857 0.81 AGTR1 (0.52) PPARGAGTR1SLC33A1
SCHEMBL1890298 0.81 PPARG (0.52) PPARGAGTR1SLC33A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009133970-A1 CRYSTALLINE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-05 WO disclosed