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Sugi Predict / Compounds / SCHEMBL13626197

SCHEMBL13626197

SCHEMBL13626197

CCCCc1nc(C)n(CC(O)C2CC3CC4CC(C3)C(C4)C2)c(=O)c1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 20/20 0.53
▸ KCNH2 Q12809 1/20 0.49

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
SCHEMBL14207548 0.94 PPARG (0.52) PPARG
SCHEMBL1891906 0.89 PPARG (0.57) PPARG
SCHEMBL13625911 0.88 PPARG (0.54) PPARG
SCHEMBL1890298 0.87 PPARG (0.52) PPARG
SCHEMBL1892692 0.85 PPARG (0.56) PPARGKCNH2
SCHEMBL1893968 0.84 PPARG (0.58) PPARGKCNH2
SCHEMBL1890139 0.83 PPARG (0.55) PPARG
SCHEMBL1888938 0.83 AGTR1 (0.58) PPARG
Hydrochloric Acid SCHEMBL1887751 0.83 PPARG (0.54) PPARG
SCHEMBL1892368 0.83 PPARG (0.54) PPARG

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