SCHEMBL4015336

SCHEMBL4015336

O=C(Nc1ccc(Oc2ccccc2)cc1)NC1CCN(C(=O)CI)CC1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 18/20 0.80
EPHX1 P07099 2/20 0.65
CXCR3 P49682 1/20 0.57

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
SCHEMBL2719122 0.89 EPHX2 (1.00) EPHX2EPHX1
SCHEMBL4123175 0.85 EPHX2 (0.77) EPHX2EPHX1CXCR3
SCHEMBL4193206 0.83 EPHX2 (0.80) EPHX2EPHX1
SCHEMBL4010411 0.82 EPHX2 (0.67) EPHX2
SCHEMBL2752560 0.80 EPHX1 (0.97) EPHX2EPHX1
SCHEMBL4132566 0.80 CA12 (0.71) EPHX2EPHX1CXCR3
SCHEMBL4010106 0.79 EPHX2 (0.69) EPHX2EPHX1CXCR3
SCHEMBL12196149 0.79 EPHX1 (1.00) EPHX2EPHX1
SCHEMBL1911203 0.78 EPHX2 (0.67) EPHX2EPHX1CXCR3
SCHEMBL357891 0.78 EPHX2 (0.67) EPHX2EPHX1CXCR3

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-2009086426-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. (US) 2009-07-09 WO claimed
WO-2009086426-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. (US) 2009-07-09 WO disclosed