SCHEMBL4013955

SCHEMBL4013955

O=C(Nc1ccc2c(c1)OCCO2)NC1CCN(C(=O)CI)CC1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.70
SMN1; SMN2 Q16637 3/20 0.65
NPC1 O15118 3/20 0.65
RAB9A P51151 3/20 0.65
NFKB1 P19838 2/20 0.65
NFKB2 Q00653 2/20 0.65
RELA Q04206 2/20 0.65
TP53 P04637 1/20 0.65
HTT P42858 1/20 0.56
POLB P06746 2/20 0.55
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 1/20 0.51
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

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
SCHEMBL4117285 0.85 SMN1; SMN2 (0.70) EPHX2SMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL2719450 0.82 EPHX2 (1.00) EPHX2SMN1; SMN2HTT
SCHEMBL6332386 0.80 RAB9A (1.00) EPHX2SMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL4009841 0.79 EPHX2 (0.80) EPHX2SMN1; SMN2MAPT
SCHEMBL1911236 0.78 SMN1; SMN2 (0.66) EPHX2SMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL4012357 0.74 EPHX2 (0.59) EPHX2NPC1POLBMEN1KMT2A
SCHEMBL360174 0.74 SMN1; SMN2 (0.63) EPHX2SMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL357608 0.74 SMN1; SMN2 (0.63) EPHX2SMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL4015336 0.74 EPHX2 (0.80) EPHX2
SCHEMBL4193206 0.73 EPHX2 (0.80) EPHX2

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