SCHEMBL4010868

SCHEMBL4010868

CCCc1nc(=O)c(-c2ccc(OC(C)C)cc2)c(C)n1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.55
ACHE P22303 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
AGTR2 P50052 1/20 0.39
P2RX3 P56373 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
SCHEMBL4014913 0.95 PPARG (0.49) PPARGACHEAGTR2
SCHEMBL4016615 0.91 PPARG (0.54) PPARGACHEAGTR2
SCHEMBL4014315 0.90 PPARG (0.44) PPARGALDH1A1MAPK1AGTR2P2RX3
SCHEMBL4012027 0.89 PPARG (0.63) PPARGACHEALDH1A1MAPK1AGTR2
SCHEMBL1889717 0.89 PPARG (0.56) PPARGACHE
SCHEMBL4008828 0.87 AGTR1 (0.42) PPARGAGTR2
SCHEMBL4013553 0.87 PPARG (0.49) PPARGACHEALDH1A1MAPK1P2RX3
SCHEMBL4017757 0.87 PPARG (0.60) PPARGACHEALDH1A1MAPK1
SCHEMBL4010303 0.86 PPARG (0.55) PPARGACHEAGTR2
SCHEMBL1890245 0.84 PPARG (0.50) PPARGACHE

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