SCHEMBL4306392

SCHEMBL4306392

CCCc1nc(CC)n(-c2ccc(OC)cc2)c(=O)c1Cc1ccc(-c2ccccc2)c(-c2noc(=O)[nH]2)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC33A1 O00400 13/20 0.45
PPARG P37231 5/20 0.42
AGTR1 P30556 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4304253 0.93 SLC33A1 (0.44) SLC33A1PPARGAGTR1
SCHEMBL1894858 0.92 SLC33A1 (0.54) SLC33A1PPARGAGTR1
SCHEMBL4304292 0.91 SLC33A1 (0.45) SLC33A1PPARGAGTR1
SCHEMBL1895671 0.91 SLC33A1 (0.53) SLC33A1PPARGAGTR1
SCHEMBL4317672 0.89 PPARG (0.45) SLC33A1PPARG
SCHEMBL3486931 0.88 SLC33A1 (0.47) SLC33A1PPARG
SCHEMBL1891428 0.87 PPARG (0.52) SLC33A1PPARGAGTR1
SCHEMBL4017629 0.86 SLC33A1 (0.51) SLC33A1PPARG
SCHEMBL3487690 0.85 SLC33A1 (0.43) SLC33A1PPARG
SCHEMBL4312291 0.85 SLC33A1 (0.45) SLC33A1PPARGAGTR1

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