SCHEMBL15975486

SCHEMBL15975486

C#Cc1ccc(NC(=O)NC2CCCCC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 14/20 0.74
RAB9A P51151 10/20 0.66
NPC1 O15118 8/20 0.66
EPHX2 P34913 4/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
ALDH1A1 P00352 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
GAA P10253 1/20 0.66
TP53 P04637 1/20 0.61
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61

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
SCHEMBL28904594 0.92 EPHX1 (0.61) EPHX1RAB9ANPC1EPHX2SMN1; SMN2
SCHEMBL13756244 0.87 EPHX1 (0.86) EPHX1RAB9ANPC1EPHX2SMN1; SMN2
SCHEMBL13756248 0.85 EPHX1 (0.83) EPHX1RAB9ANPC1EPHX2SMN1; SMN2
SCHEMBL14506148 0.85 EPHX1 (1.00) EPHX1RAB9ANPC1EPHX2SMN1; SMN2
SCHEMBL9755532 0.85 EPHX1 (1.00) EPHX1RAB9ANPC1EPHX2SMN1; SMN2
SCHEMBL2752610 0.83 EPHX1 (0.97) EPHX1RAB9ANPC1EPHX2SMN1; SMN2
SCHEMBL5408003 0.83 RAB9A (0.65) EPHX1RAB9ANPC1EPHX2SMN1; SMN2
SCHEMBL12196184 0.81 EPHX1 (1.00) EPHX1RAB9ANPC1EPHX2SMN1; SMN2
SCHEMBL8391687 0.81 EPHX1 (1.00) EPHX1RAB9ANPC1EPHX2SMN1; SMN2
SCHEMBL17316265 0.80 EPHX2 (0.56) EPHX1EPHX2SMN1; SMN2CYP2C19MEN1

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
US-8815951-B2 Inhibitors of epoxide hydrolases for the treatment of inflammation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-08-26 US disclosed