SCHEMBL4010106

SCHEMBL4010106

CC(C)(C)N1CCC(NC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.69
EPHX1 P07099 4/20 0.67
CXCR3 P49682 1/20 0.57
ALDH1A1 P00352 1/20 0.54
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA4 P22748 2/20 0.51
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
USP30 Q70CQ3 1/20 0.51
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
KMT2A Q03164 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL4123175 0.84 EPHX2 (0.77) EPHX2EPHX1CXCR3ALDH1A1CA12
SCHEMBL4132566 0.84 CA12 (0.71) EPHX2EPHX1CXCR3ALDH1A1CA12
SCHEMBL2752560 0.82 EPHX1 (0.97) EPHX2EPHX1ALDH1A1KMT2ANPC1
SCHEMBL357891 0.82 EPHX2 (0.67) EPHX2EPHX1CXCR3ALDH1A1CA12
SCHEMBL1911203 0.82 EPHX2 (0.67) EPHX2EPHX1CXCR3ALDH1A1CA12
SCHEMBL2719122 0.81 EPHX2 (1.00) EPHX2EPHX1
SCHEMBL12196149 0.81 EPHX1 (1.00) EPHX2EPHX1ALDH1A1KMT2ANPC1
SCHEMBL4015336 0.79 EPHX2 (0.80) EPHX2EPHX1CXCR3
SCHEMBL3352294 0.79 EPHX2 (0.73) EPHX2USP30
SCHEMBL25094024 0.76 EPHX2 (0.58) EPHX2EPHX1ALDH1A1DRD2DRD4

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