SCHEMBL13626581

SCHEMBL13626581

CCCc1nc(CC)n(-c2ccc(OC3CCCCC3)cc2)c(=O)c1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC33A1 O00400 19/20 0.57
PPARG P37231 1/20 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
SCHEMBL1891811 0.94 SLC33A1 (0.54) SLC33A1
SCHEMBL1888050 0.94 SLC33A1 (0.54) SLC33A1
SCHEMBL1896366 0.94 SLC33A1 (0.57) SLC33A1PPARG
SCHEMBL12349029 0.93 SLC33A1 (0.57) SLC33A1PPARG
SCHEMBL1887943 0.93 SLC33A1 (0.57) SLC33A1PPARG
SCHEMBL1886985 0.93 SLC33A1 (0.54) SLC33A1
SCHEMBL1897145 0.93 SLC33A1 (0.57) SLC33A1PPARG
SCHEMBL1887940 0.93 SLC33A1 (0.57) SLC33A1PPARG
SCHEMBL1886719 0.93 SLC33A1 (0.56) SLC33A1PPARG
SCHEMBL4158281 0.93 SLC33A1 (0.51) SLC33A1PPARG

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