SCHEMBL13768657

SCHEMBL13768657

O=C(NCCCCCCC(F)C(=O)O)NC12CC3CCCC(C3)(C1)C2

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 19/20 0.45
ALOX5 P09917 1/20 0.44
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40

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
SCHEMBL13768655 0.87 EPHX2 (0.45) EPHX2ALOX5HDAC3HDAC1HDAC7
SCHEMBL4012348 0.81 EPHX2 (0.71) EPHX2ALOX5HDAC3HDAC1HDAC7
SCHEMBL4012103 0.81 EPHX2 (0.71) EPHX2ALOX5HDAC3HDAC1HDAC7
SCHEMBL3225252 0.81 EPHX2 (0.71) EPHX2ALOX5HDAC3HDAC1HDAC7
SCHEMBL4016422 0.79 EPHX2 (0.70) EPHX2ALOX5HDAC3HDAC1HDAC7
SCHEMBL13768656 0.79 EPHX2 (0.45) EPHX2ALOX5HDAC3HDAC1HDAC7
SCHEMBL13768936 0.77 EPHX2 (0.43) EPHX2ALOX5HDAC3HDAC1HDAC7
SCHEMBL13768934 0.74 EPHX2 (0.44) EPHX2
SCHEMBL4009630 0.74 EPHX1 (0.48) EPHX2
SCHEMBL4013112 0.73 MAPT (0.43) EPHX2ALOX5

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 disclosed