SCHEMBL4447449

SCHEMBL4447449

CCCc1nc(CC)n(-c2ccc3c(c2)CCO3)c(=O)c1Cc1ccc(-c2ccccc2)c(-c2noc(=O)[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC33A1 O00400 16/20 0.42
PPARG P37231 3/20 0.39
AGTR1 P30556 1/20 0.39

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
SCHEMBL1889031 0.93 SLC33A1 (0.49) SLC33A1PPARGAGTR1
SCHEMBL1889340 0.92 SLC33A1 (0.49) SLC33A1PPARGAGTR1
SCHEMBL12348679 0.89 PPARG (0.47) SLC33A1PPARGAGTR1
SCHEMBL1892340 0.87 SLC33A1 (0.50) SLC33A1PPARG
SCHEMBL1891316 0.86 SLC33A1 (0.47) SLC33A1PPARGAGTR1
SCHEMBL4306392 0.84 SLC33A1 (0.45) SLC33A1PPARGAGTR1
SCHEMBL2843382 0.84 SLC33A1 (0.39) SLC33A1PPARGAGTR1
SCHEMBL1891851 0.84 PPARG (0.45) SLC33A1PPARGAGTR1
SCHEMBL4304253 0.83 SLC33A1 (0.44) SLC33A1PPARGAGTR1
SCHEMBL1890207 0.83 PPARG (0.48) 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