SCHEMBL13625911

SCHEMBL13625911

CCCCc1nc(C)n(CC2CC3CC4CC(C3)C(C4)C2)c(=O)c1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.54
SLC33A1 O00400 2/20 0.53
AGTR1 P30556 3/20 0.51

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
SCHEMBL14207797 0.94 PPARG (0.56) PPARGSLC33A1AGTR1
SCHEMBL1896949 0.90 SLC33A1 (0.64) PPARGSLC33A1AGTR1
SCHEMBL1896359 0.88 SLC33A1 (0.62) PPARGSLC33A1AGTR1
Hydrochloric Acid SCHEMBL1893818 0.88 SLC33A1 (0.61) PPARGSLC33A1AGTR1
SCHEMBL1892339 0.88 SLC33A1 (0.61) PPARGSLC33A1AGTR1
Bromide SCHEMBL1894527 0.88 SLC33A1 (0.61) PPARGSLC33A1AGTR1
SCHEMBL1889927 0.88 SLC33A1 (0.61) PPARGSLC33A1AGTR1
SCHEMBL13626197 0.88 PPARG (0.53) PPARG
SCHEMBL1890139 0.85 PPARG (0.55) PPARGSLC33A1AGTR1
SCHEMBL1892368 0.85 PPARG (0.54) PPARGSLC33A1AGTR1

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