SCHEMBL7209336

SCHEMBL7209336

CCCCCN(C)CCCCCCCO[C@H]1CC[C@H](N(C)S(=O)(=O)OCC(=O)NCC)CC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.34
KDM5A P29375 6/20 0.33
LSS P48449 2/20 0.33
KDM4C Q9H3R0 6/20 0.33
PHF8 Q9UPP1 2/20 0.33
FAAH O00519 1/20 0.32
KDM5C P41229 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
KDM4A O75164 2/20 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
SCHEMBL4803278 0.89 LSS (0.44) LSS
SCHEMBL7209339 0.86 KDM5A (0.34) EPHX2KDM5ALSSKDM4CPHF8
SCHEMBL7210693 0.79 LSS (0.36) EPHX2KDM5ALSSKDM4CPHF8
SCHEMBL7205012 0.79 LSS (0.36) EPHX2KDM5ALSSKDM4CPHF8
SCHEMBL7210695 0.79 LSS (0.36) EPHX2KDM5ALSSKDM4CPHF8
SCHEMBL7205014 0.79 LSS (0.36) EPHX2KDM5ALSSKDM4CPHF8
SCHEMBL7204543 0.78 ADH1C (0.37) EPHX2KDM5ALSSKDM4CPHF8
SCHEMBL7204538 0.78 ADH1C (0.37) EPHX2KDM5ALSSKDM4CPHF8
SCHEMBL7205097 0.77 LSS (0.39) LSS
SCHEMBL7205099 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