SCHEMBL7209643

SCHEMBL7209643

CCCCCN(C)CCCCCOC1CCC(N(C)C(=O)OC(C)(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LSS P48449 6/20 0.36
EPHX2 P34913 1/20 0.35
KDM5A P29375 6/20 0.35
KDM4C Q9H3R0 5/20 0.34
PHF8 Q9UPP1 2/20 0.34
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM5C P41229 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
GBA1 P04062 1/20 0.33
HSD11B1 P28845 1/20 0.32
KDM4A O75164 1/20 0.32
DNM1 Q05193 1/20 0.32

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
SCHEMBL7204748 1.00 LSS (0.36) LSSEPHX2KDM5AKDM4CPHF8
SCHEMBL7207162 1.00 LSS (0.36) LSSEPHX2KDM5AKDM4CPHF8
SCHEMBL7209647 1.00 LSS (0.36) LSSEPHX2KDM5AKDM4CPHF8
SCHEMBL7204746 1.00 LSS (0.36) LSSEPHX2KDM5AKDM4CPHF8
SCHEMBL7207147 1.00 LSS (0.36) LSSEPHX2KDM5AKDM4CPHF8
SCHEMBL7204704 0.99 EPHX2 (0.36) LSSEPHX2KDM5AKDM4CPHF8
SCHEMBL7204707 0.99 EPHX2 (0.36) LSSEPHX2KDM5AKDM4CPHF8
SCHEMBL7206264 0.96 LSS (0.35) LSSEPHX2KDM5AKDM4CPHF8
SCHEMBL7206262 0.96 LSS (0.35) LSSEPHX2KDM5AKDM4CPHF8
SCHEMBL7207150 0.87 EPHX2 (0.37) LSSEPHX2GBA1HSD11B1

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