SCHEMBL4304253

SCHEMBL4304253

CCCc1nc(CC)n(-c2ccc(OC(C)(C)C)cc2)c(=O)c1Cc1ccc(-c2ccccc2)c(-c2noc(=O)[nH]2)c1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC33A1 O00400 15/20 0.44
PPARG P37231 4/20 0.41
AGTR1 P30556 1/20 0.40

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
SCHEMBL4306392 0.93 SLC33A1 (0.45) SLC33A1PPARGAGTR1
SCHEMBL1890468 0.92 SLC33A1 (0.52) SLC33A1PPARGAGTR1
SCHEMBL4304292 0.91 SLC33A1 (0.45) SLC33A1PPARGAGTR1
SCHEMBL3486931 0.87 SLC33A1 (0.47) SLC33A1PPARG
SCHEMBL1889160 0.85 SLC33A1 (0.51) SLC33A1PPARGAGTR1
SCHEMBL1894642 0.85 SLC33A1 (0.53) SLC33A1PPARG
SCHEMBL1894146 0.85 SLC33A1 (0.50) SLC33A1PPARGAGTR1
SCHEMBL12348977 0.84 SLC33A1 (0.54) SLC33A1PPARG
SCHEMBL1896260 0.84 SLC33A1 (0.49) SLC33A1PPARGAGTR1
SCHEMBL1894858 0.84 SLC33A1 (0.54) SLC33A1PPARGAGTR1

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