SCHEMBL15975480

SCHEMBL15975480

O=C(NCCCN1CCCCC1)NC1CCCCC1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 13/20 0.79
GAA P10253 1/20 0.79
CCR3 P51677 1/20 0.61
EPHX2 P34913 4/20 0.60
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 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
SCHEMBL491868 1.00 EPHX1 (0.79) EPHX1GAACCR3EPHX2KDM4E
SCHEMBL12196118 0.88 EPHX1 (1.00) EPHX1GAACCR3EPHX2ALDH1A1
SCHEMBL3896010 0.83 EPHX1 (0.54) EPHX1GAAKDM4EALDH1A1
SCHEMBL9750349 0.81 EPHX1 (0.86) EPHX1EPHX2KDM4EALDH1A1
SCHEMBL19420509 0.81 EPHX1 (0.86) EPHX1EPHX2KDM4EALDH1A1
SCHEMBL14592001 0.81 GAA (0.55) EPHX1GAACCR3EPHX2ALDH1A1
SCHEMBL17525452 0.81 KDM4E (0.54) EPHX1GAAKDM4E
SCHEMBL10642292 0.81 EPHX1 (0.66) EPHX1GAACCR3EPHX2ALDH1A1
SCHEMBL10642211 0.81 EPHX1 (0.62) EPHX1GAACCR3
SCHEMBL7522076 0.80 ALDH1A1 (0.56) EPHX1GAACCR3KDM4EALDH1A1

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