SCHEMBL4453433

SCHEMBL4453433

CCCCc1nc(C)n(Cc2ccc(OC)nc2)c(=O)c1Cc1ccc(-c2ccccc2)c(-c2noc(=O)[nH]2)c1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.51
SLC33A1 O00400 1/20 0.49
AGTR1 P30556 1/20 0.46

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
SCHEMBL1897813 0.92 PPARG (0.57) PPARGSLC33A1AGTR1
Hydrochloric Acid SCHEMBL1889378 0.92 PPARG (0.57) PPARGSLC33A1AGTR1
SCHEMBL1888694 0.92 PPARG (0.57) PPARGSLC33A1AGTR1
Bromide SCHEMBL1891590 0.92 PPARG (0.57) PPARGSLC33A1AGTR1
SCHEMBL1888692 0.92 PPARG (0.57) PPARGSLC33A1AGTR1
SCHEMBL1891420 0.92 PPARG (0.57) PPARGSLC33A1AGTR1
Potassium SCHEMBL1891423 0.92 SLC33A1 (0.58) PPARGSLC33A1AGTR1
SCHEMBL4017161 0.85 PPARG (0.52) PPARGAGTR1
SCHEMBL4304224 0.85 PPARG (0.55) PPARGAGTR1
SCHEMBL1894284 0.83 SLC33A1 (0.69) 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