SCHEMBL7209339

SCHEMBL7209339

CCCCCN(C)CCCCCCCOC1CCC(N(C)S(=O)(=O)OCC(=O)OCC)CC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 4/20 0.34
DNM1 Q05193 1/20 0.34
LSS P48449 3/20 0.34
EPHX2 P34913 1/20 0.33
LTA4H P09960 2/20 0.32
KDM4C Q9H3R0 2/20 0.32
PHF8 Q9UPP1 1/20 0.32
S1PR2 O95136 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
S1PR5 Q9H228 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30
ADH4 P08319 1/20 0.30
NAAA Q02083 1/20 0.30
DGKA P23743 1/20 0.30
KDM5C P41229 1/20 0.30
KDM5B Q9UGL1 1/20 0.30

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
SCHEMBL4803284 0.88 LSS (0.45) LSS
SCHEMBL7209336 0.86 EPHX2 (0.34) KDM5ALSSEPHX2KDM4CPHF8
SCHEMBL7205014 0.81 LSS (0.36) KDM5ALSSEPHX2KDM4CPHF8
SCHEMBL7210695 0.81 LSS (0.36) KDM5ALSSEPHX2KDM4CPHF8
SCHEMBL7210693 0.81 LSS (0.36) KDM5ALSSEPHX2KDM4CPHF8
SCHEMBL7205012 0.81 LSS (0.36) KDM5ALSSEPHX2KDM4CPHF8
SCHEMBL7206210 0.80 MEN1 (0.39) KDM5ADNM1LSSEPHX2LTA4H
SCHEMBL7204538 0.80 ADH1C (0.37) KDM5ALSSEPHX2KDM4CPHF8
SCHEMBL7204543 0.80 ADH1C (0.37) KDM5ALSSEPHX2KDM4CPHF8
SCHEMBL7205097 0.77 LSS (0.39) LSS

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311475-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-05-21 EP disclosed
WO-2002014267-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-21 WO disclosed