SCHEMBL7210724

SCHEMBL7210724

CCCCCN(C)CCCCO[C@H]1CC[C@H](N(CC(=O)OCC)S(=O)(=O)NC)CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.36
KDM5A P29375 4/20 0.34
EPHX2 P34913 1/20 0.34
KDM4C Q9H3R0 2/20 0.32
KDM5C P41229 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
LSS P48449 1/20 0.32
PHF8 Q9UPP1 1/20 0.31
DNM1 Q05193 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
SCHEMBL4806622 0.88 LSS (0.42) LTA4HLSS
SCHEMBL7206210 0.88 MEN1 (0.39) LTA4HKDM5AEPHX2KDM4CKDM5C
SCHEMBL7210730 0.80 EPHX2 (0.39) LTA4HKDM5AEPHX2KDM4CKDM5C
SCHEMBL7210727 0.80 EPHX2 (0.39) LTA4HKDM5AEPHX2KDM4CKDM5C
SCHEMBL7209339 0.76 KDM5A (0.34) LTA4HKDM5AEPHX2KDM4CKDM5C
SCHEMBL4796859 0.76 LSS (0.46) LTA4HLSS
SCHEMBL7210722 0.73 KMT2A (0.38) LTA4HKDM5AEPHX2KDM4CKDM5C
SCHEMBL7206207 0.73 KDM5A (0.36) LTA4HKDM5AEPHX2KDM4CKDM5C
SCHEMBL7210695 0.73 LSS (0.36) KDM5AEPHX2KDM4CKDM5CKDM5B
SCHEMBL7210693 0.73 LSS (0.36) KDM5AEPHX2KDM4CKDM5CKDM5B

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