SCHEMBL4013553

SCHEMBL4013553

CCOc1nc(=O)c(-c2ccc(OC(C)C)cc2)c(C)n1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.49
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
ALOX5AP P20292 1/20 0.38
P2RX3 P56373 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ACHE P22303 1/20 0.37
FFAR1 O14842 1/20 0.37
AKR1B1 P15121 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
DPP4 P27487 1/20 0.36

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
SCHEMBL1895341 0.89 PPARG (0.48) PPARGALOX5APP2RX3MEN1KMT2A
SCHEMBL4010868 0.87 PPARG (0.55) PPARGALDH1A1MAPK1P2RX3ACHE
SCHEMBL4014913 0.86 PPARG (0.49) PPARGACHE
SCHEMBL4010316 0.82 PPARG (0.48) PPARGALOX5APACHEGRIN1GRIN2B
SCHEMBL4016615 0.80 PPARG (0.54) PPARGACHE
SCHEMBL1889717 0.79 PPARG (0.56) PPARGACHE
SCHEMBL1890010 0.78 PPARG (0.48) PPARGALOX5APACHEFFAR1AKR1B1
SCHEMBL1890245 0.78 PPARG (0.50) PPARGACHE
SCHEMBL4014315 0.78 PPARG (0.44) PPARGALDH1A1MAPK1P2RX3GRIN1
SCHEMBL4013349 0.78 PPARG (0.41) PPARGALOX5APACHEGRIN1GRIN2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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