SCHEMBL4014108

SCHEMBL4014108

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

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC33A1 O00400 15/20 0.46
PPARG P37231 4/20 0.39
AGTR1 P30556 1/20 0.39

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
SCHEMBL4315536 0.94 SLC33A1 (0.47) SLC33A1PPARGAGTR1
SCHEMBL1891109 0.92 SLC33A1 (0.52) SLC33A1PPARG
Bromide SCHEMBL1892430 0.91 SLC33A1 (0.51) SLC33A1PPARG
Hydrochloric Acid SCHEMBL1890021 0.91 SLC33A1 (0.51) SLC33A1PPARG
SCHEMBL1893881 0.91 SLC33A1 (0.51) SLC33A1PPARG
SCHEMBL1893813 0.91 SLC33A1 (0.51) SLC33A1PPARG
SCHEMBL4012668 0.89 SLC33A1 (0.45) SLC33A1PPARG
SCHEMBL3487690 0.89 SLC33A1 (0.43) SLC33A1PPARG
SCHEMBL4306427 0.88 SLC33A1 (0.50) SLC33A1PPARG
SCHEMBL4317672 0.87 PPARG (0.45) 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 3 patents. 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
EP-2074117-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-07-01 EP disclosed
WO-2008062905-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-29 WO disclosed