SCHEMBL4012598

SCHEMBL4012598

O=C(NC1C2CC3CC(C2)CC1C3)N(I)CCCCCC=C(F)CO

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.37
USP2 O75604 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
HSD11B1 P28845 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL4128501 0.77 EPHX2 (0.68) EPHX2
SCHEMBL19808153 0.60 L3MBTL1 (0.63) EPHX2L3MBTL1HSD11B1HSD17B10
SCHEMBL4016037 0.60 EPHX2 (0.68) EPHX2
SCHEMBL4128506 0.60 EPHX2 (0.68) EPHX2
SCHEMBL4016032 0.60 EPHX2 (0.68) EPHX2
SCHEMBL15807065 0.58
SCHEMBL3069167 0.56 EPHX2 (0.70) EPHX2L3MBTL1HSD11B1HSD17B10
SCHEMBL1193302 0.56 L3MBTL1 (0.60) EPHX2L3MBTL1HSD11B1HSD17B10
SCHEMBL14721307 0.55 EP300 (0.47) USP2HSD17B10
SCHEMBL7927463 0.55 EP300 (0.47) USP2HSD17B10

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
WO-2009086426-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. (US) 2009-07-09 WO claimed