SCHEMBL13076709

SCHEMBL13076709

O=C(NCc1ccccc1OC(F)(F)F)c1cc(=O)n(CCO)c(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.49
SLC40A1 Q9NP59 1/20 0.43
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
PPARG P37231 2/20 0.42
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
HSD17B13 Q7Z5P4 4/20 0.41
NTRK1 P04629 1/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2J2 P51589 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL13075745 0.94 EPHX2 (0.46) EPHX2SLC40A1ROCK2ROCK1PPARG
SCHEMBL13076707 0.89 EPHX2 (0.41) EPHX2SLC40A1ROCK2ROCK1PPARG
SCHEMBL3798181 0.89 EPHX2 (0.49) EPHX2ROCK2ROCK1PPARGHSD17B13
SCHEMBL13075684 0.89 EPHX2 (0.46) EPHX2SLC40A1ROCK2ROCK1PPARG
SCHEMBL13076714 0.89 EPHX2 (0.42) EPHX2SLC40A1ROCK2ROCK1PPARG
SCHEMBL13076471 0.87 EPHX2 (0.44) EPHX2SLC40A1ROCK2ROCK1PPARG
SCHEMBL13076520 0.87 EPHX2 (0.42) EPHX2SLC40A1ROCK2ROCK1PPARG
SCHEMBL3725466 0.87 EPHX2 (0.46) EPHX2ROCK2ROCK1PPARGBRD4
SCHEMBL3790746 0.87 PPARG (0.46) EPHX2SLC40A1ROCK2ROCK1PPARG
SCHEMBL13076519 0.87 EPHX2 (0.41) EPHX2SLC40A1ROCK2ROCK1PPARG

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