SCHEMBL4548629

SCHEMBL4548629

CN(C(=O)NCCCCCCCCCCCC(=O)O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 16/20 0.58
ALOX5 P09917 1/20 0.58
ADRA1A P35348 1/20 0.45
PRMT1 Q99873 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43

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
SCHEMBL16365921 0.75 KDM4E (0.76) EPHX2ALOX5PRMT1KDM4EHTT
SCHEMBL12932220 0.74 EPHX2 (1.00) EPHX2ALOX5HTTHDAC3HDAC1
SCHEMBL31506406 0.74 EPHX2 (1.00) EPHX2ALOX5HTTHDAC3HDAC1
SCHEMBL15741901 0.74 EPHX2 (1.00) EPHX2ALOX5HTTHDAC3HDAC1
SCHEMBL31506388 0.74 EPHX2 (1.00) EPHX2ALOX5HTTHDAC3HDAC1
SCHEMBL12932218 0.74 EPHX2 (1.00) EPHX2ALOX5HTTHDAC3HDAC1
SCHEMBL120588 0.74 EPHX2 (1.00) EPHX2ALOX5HTTHDAC3HDAC1
SCHEMBL31555412 0.72 EPHX2 (0.82) EPHX2ALOX5HDAC3HDAC1HDAC7
SCHEMBL29860462 0.72 EPHX2 (0.71) EPHX2ALOX5HDAC3HDAC1HDAC7
SCHEMBL20841984 0.71 EPHX2 (0.60) EPHX2

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
EP-1931201-B1 USE OF SEH INHIBITORS AS ANALGESICS UNIV CALIFORNIA (US) 2012-05-02 EP disclosed