SCHEMBL7204545

SCHEMBL7204545

CCCCCN(C)CCCCCCOC1CCC(NS(=O)(=O)CC)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.40
KDM5A P29375 6/20 0.38
KDM4C Q9H3R0 6/20 0.35
PHF8 Q9UPP1 2/20 0.35
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
KDM5C P41229 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
RECQL P46063 2/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
BLM P54132 1/20 0.33
LSS P48449 1/20 0.32
KDM4A O75164 2/20 0.32
SMYD3 Q9H7B4 1/20 0.31
ADH1C P00326 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
SCHEMBL7210764 0.82 EPHX2 (0.41) EPHX2KDM5AKDM4CPHF8S1PR2
SCHEMBL7209033 0.82 EPHX2 (0.41) EPHX2KDM5AKDM4CPHF8S1PR2
SCHEMBL7207720 0.82 EPHX2 (0.41) EPHX2KDM5AKDM4CPHF8S1PR2
SCHEMBL7210761 0.82 EPHX2 (0.41) EPHX2KDM5AKDM4CPHF8S1PR2
SCHEMBL7207714 0.82 EPHX2 (0.41) EPHX2KDM5AKDM4CPHF8S1PR2
SCHEMBL7209031 0.82 EPHX2 (0.41) EPHX2KDM5AKDM4CPHF8S1PR2
SCHEMBL7211449 0.81 EPHX2 (0.42) EPHX2KDM5AKDM4CPHF8S1PR2
SCHEMBL7205082 0.81 EPHX2 (0.42) EPHX2KDM5AKDM4CPHF8S1PR2
SCHEMBL7210730 0.79 EPHX2 (0.39) EPHX2KDM5AKDM4CPHF8KDM5C
SCHEMBL7210727 0.79 EPHX2 (0.39) EPHX2KDM5AKDM4CPHF8KDM5C

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