SCHEMBL7205007

SCHEMBL7205007

CCCCCN(C)CCCCCOC1CCC(CNS(=O)(=O)O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
EPHX2 P34913 1/20 0.36
KDM5A P29375 6/20 0.36
KDM4C Q9H3R0 6/20 0.35
PHF8 Q9UPP1 2/20 0.35
LMNA P02545 1/20 0.35
S1PR2 O95136 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34
CNR2 P34972 1/20 0.33
KDM5C P41229 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
LSS P48449 2/20 0.33
KDM4A O75164 2/20 0.33
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32
MCHR1 Q99705 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
SCHEMBL7210690 1.00 KMT2A (0.38) KMT2AMEN1EPHX2KDM5AKDM4C
SCHEMBL4805159 0.85 LSS (0.48) LSS
SCHEMBL7209034 0.82 GBA1 (0.53) KMT2AMEN1LMNA
SCHEMBL7210722 0.82 KMT2A (0.38) KMT2AMEN1EPHX2KDM5AKDM4C
SCHEMBL7205014 0.81 LSS (0.36) EPHX2KDM5AKDM4CPHF8S1PR2
SCHEMBL7210693 0.81 LSS (0.36) EPHX2KDM5AKDM4CPHF8S1PR2
SCHEMBL7205012 0.81 LSS (0.36) EPHX2KDM5AKDM4CPHF8S1PR2
SCHEMBL7210695 0.81 LSS (0.36) EPHX2KDM5AKDM4CPHF8S1PR2
SCHEMBL7204867 0.78 LMNA (0.44) KMT2AMEN1LMNA
SCHEMBL7205051 0.78 LSS (0.46) KMT2ALMNACNR2LSS

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