SCHEMBL7206210

SCHEMBL7206210

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM5A P29375 4/20 0.35
LTA4H P09960 2/20 0.35
DNM1 Q05193 1/20 0.34
LSS P48449 2/20 0.34
EPHX2 P34913 1/20 0.33
KDM4C Q9H3R0 2/20 0.32
PHF8 Q9UPP1 1/20 0.32
MAPK1 P28482 1/20 0.32
S1PR2 O95136 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
NAAA Q02083 1/20 0.31
DGKA P23743 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
SCHEMBL4796859 0.88 LSS (0.46) MEN1KMT2ASMN1; SMN2LTA4HLSS
SCHEMBL7210724 0.88 LTA4H (0.36) KDM5ALTA4HDNM1LSSEPHX2
SCHEMBL7204543 0.81 ADH1C (0.37) KDM5ALSSEPHX2KDM4CPHF8
SCHEMBL7204538 0.81 ADH1C (0.37) KDM5ALSSEPHX2KDM4CPHF8
SCHEMBL7209339 0.80 KDM5A (0.34) KDM5ALTA4HDNM1LSSEPHX2
SCHEMBL7210727 0.78 EPHX2 (0.39) KDM5ALTA4HDNM1LSSEPHX2
SCHEMBL7210730 0.78 EPHX2 (0.39) KDM5ALTA4HDNM1LSSEPHX2
SCHEMBL7210693 0.77 LSS (0.36) KDM5ALSSEPHX2KDM4CPHF8
SCHEMBL7210695 0.77 LSS (0.36) KDM5ALSSEPHX2KDM4CPHF8
SCHEMBL7205012 0.77 LSS (0.36) KDM5ALSSEPHX2KDM4CPHF8

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