SCHEMBL7210727

SCHEMBL7210727

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.39
KDM5A P29375 5/20 0.35
LTA4H P09960 2/20 0.34
POLB P06746 1/20 0.34
SMYD3 Q9H7B4 1/20 0.32
KDM4C Q9H3R0 3/20 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
TSHR P16473 1/20 0.31
LSS P48449 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
SCHEMBL7210730 1.00 EPHX2 (0.39) EPHX2KDM5ALTA4HPOLBSMYD3
SCHEMBL4806637 0.88 LSS (0.43) EPHX2LTA4HPOLBLSS
SCHEMBL4806631 0.88 LSS (0.43) EPHX2LTA4HPOLBLSS
SCHEMBL7210724 0.80 LTA4H (0.36) EPHX2KDM5ALTA4HKDM4CKDM5C
SCHEMBL7204545 0.79 EPHX2 (0.40) EPHX2KDM5ASMYD3KDM4CKDM5C
SCHEMBL7206210 0.78 MEN1 (0.39) EPHX2KDM5ALTA4HKDM4CKDM5C
SCHEMBL7210722 0.74 KMT2A (0.38) EPHX2KDM5ALTA4HPOLBKDM4C
SCHEMBL7206207 0.74 KDM5A (0.36) EPHX2KDM5ALTA4HKDM4CKDM5C
SCHEMBL7209339 0.73 KDM5A (0.34) EPHX2KDM5ALTA4HKDM4CKDM5C
SCHEMBL7205082 0.73 EPHX2 (0.42) EPHX2KDM5AKDM4CKDM5CKDM5B

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