SCHEMBL3790746

SCHEMBL3790746

CC(C)(C)Cn1c(=O)cc(C(=O)NCc2ccccc2OC(F)(F)F)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.46
EPHX2 P34913 11/20 0.44
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
BRD4 O60885 1/20 0.43
CREBBP Q92793 1/20 0.43
HSD17B13 Q7Z5P4 2/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
SLC40A1 Q9NP59 1/20 0.41
NTRK1 P04629 1/20 0.40
ALOX5 P09917 1/20 0.40

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
SCHEMBL3725466 0.88 EPHX2 (0.46) PPARGEPHX2ROCK2ROCK1BRD4
SCHEMBL3798181 0.88 EPHX2 (0.49) PPARGEPHX2ROCK2ROCK1HSD17B13
SCHEMBL13076709 0.87 EPHX2 (0.49) PPARGEPHX2ROCK2ROCK1BRD4
SCHEMBL13076471 0.86 EPHX2 (0.44) PPARGEPHX2ROCK2ROCK1BRD4
SCHEMBL13076520 0.86 EPHX2 (0.42) PPARGEPHX2ROCK2ROCK1BRD4
SCHEMBL3793409 0.86 ROCK2 (0.46) PPARGEPHX2ROCK2ROCK1BRD4
SCHEMBL13075684 0.86 EPHX2 (0.46) PPARGEPHX2ROCK2ROCK1BRD4
SCHEMBL13076714 0.86 EPHX2 (0.42) PPARGEPHX2ROCK2ROCK1BRD4
SCHEMBL13075744 0.85 EPHX2 (0.50) PPARGEPHX2ROCK2ROCK1BRD4
SCHEMBL13075745 0.85 EPHX2 (0.46) PPARGEPHX2ROCK2ROCK1BRD4

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
WO-2010129848-A2 2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXAMIDES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-11 WO disclosed
WO-2010129848-A2 2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXAMIDES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-11 WO disclosed