SCHEMBL13480593

SCHEMBL13480593

CCNC(=O)NC1CCCCCCC1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 17/20 0.72
KDM4E B2RXH2 2/20 0.72
ALDH1A1 P00352 2/20 0.72
EPHX2 P34913 4/20 0.64
NPC1 O15118 1/20 0.64
RAB9A P51151 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
CYP3A4 P08684 1/20 0.64

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
SCHEMBL966655 1.00 EPHX1 (0.72) EPHX1KDM4EALDH1A1EPHX2NPC1
SCHEMBL13480574 1.00 EPHX1 (0.72) EPHX1KDM4EALDH1A1EPHX2NPC1
SCHEMBL965080 0.98 EPHX1 (0.69) EPHX1KDM4EALDH1A1EPHX2NPC1
SCHEMBL968340 0.94 EPHX1 (0.63) EPHX1KDM4EALDH1A1EPHX2
SCHEMBL965926 0.89
SCHEMBL15263332 0.89 EPHX1 (0.57) EPHX1KDM4EALDH1A1EPHX2
SCHEMBL6357682 0.84 EPHX1 (1.00) EPHX1KDM4EALDH1A1EPHX2
SCHEMBL12196028 0.84 EPHX1 (1.00) EPHX1KDM4EALDH1A1EPHX2
SCHEMBL13062891 0.82 SMN1; SMN2 (0.68) EPHX1KDM4EALDH1A1EPHX2NPC1
SCHEMBL2751260 0.82 EPHX1 (0.96) EPHX1KDM4EALDH1A1EPHX2

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-7662910-B2 Inhibitors for the soluble epoxide hydrolase THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-02-16 US disclosed