SCHEMBL7209192

SCHEMBL7209192

CCCCCN(C)CCCCOC1CCC(N(C)C(=O)OCC(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
LSS P48449 5/20 0.34
KDM5A P29375 4/20 0.33
KDM4C Q9H3R0 2/20 0.32
KDM5C P41229 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
DNM1 Q05193 1/20 0.32
SPHK1 Q9NYA1 1/20 0.31
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

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
SCHEMBL7209194 1.00 EPHX2 (0.35) EPHX2LSSKDM5AKDM4CKDM5C
SCHEMBL4804404 0.95 LSS (0.38) EPHX2LSSKDM5AKDM4C
SCHEMBL4804398 0.95 LSS (0.38) EPHX2LSSKDM5AKDM4C
SCHEMBL4798948 0.88 LSS (0.38) LSS
SCHEMBL4798945 0.88 LSS (0.38) LSS
SCHEMBL4806146 0.88 LSS (0.38) LSS
SCHEMBL4806142 0.88 LSS (0.38) LSS
SCHEMBL4806661 0.87 LSS (0.36) LSS
SCHEMBL4806654 0.87 LSS (0.36) LSS
SCHEMBL4803048 0.87 LSS (0.47) 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