SCHEMBL4309334

SCHEMBL4309334

CCCCCOc1ccc(-n2c(C)nc(CCC)c(Cc3ccc(-c4ccccc4-c4noc(=O)[nH]4)cc3)c2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.51
SLC33A1 O00400 11/20 0.51
PLA2G2A P14555 1/20 0.48

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
SCHEMBL1888498 0.96 SLC33A1 (0.51) PPARGSLC33A1
Bromide SCHEMBL1894484 0.95 SLC33A1 (0.51) PPARGSLC33A1
SCHEMBL1896225 0.95 SLC33A1 (0.51) PPARGSLC33A1
SCHEMBL1892915 0.95 SLC33A1 (0.51) PPARGSLC33A1
SCHEMBL2843387 0.94 SLC33A1 (0.49) PPARGSLC33A1
SCHEMBL4010691 0.94 SLC33A1 (0.52) SLC33A1
SCHEMBL1891176 0.92 PPARG (0.51) PPARGSLC33A1
SCHEMBL1890766 0.92 PPARG (0.50) PPARGSLC33A1
SCHEMBL1890537 0.92 PPARG (0.50) PPARGSLC33A1
Bromide SCHEMBL1896574 0.92 PPARG (0.50) PPARGSLC33A1

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