SCHEMBL7210722

SCHEMBL7210722

CCCCCN(C)CCCCOC1CCC(CNS(=O)(=O)NCC(=O)OCC)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
KDM5A P29375 4/20 0.34
EPHX2 P34913 1/20 0.34
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
LTA4H P09960 2/20 0.32
KDM4C Q9H3R0 2/20 0.32
KDM5C P41229 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
PHF8 Q9UPP1 1/20 0.31
DNM1 Q05193 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL4806617 0.88 LSS (0.42) KMT2AMEN1POLB
SCHEMBL7206207 0.86 KDM5A (0.36) KMT2AMEN1KDM5AEPHX2LTA4H
SCHEMBL7210690 0.82 KMT2A (0.38) KMT2AMEN1KDM5AEPHX2LMNA
SCHEMBL7205007 0.82 KMT2A (0.38) KMT2AMEN1KDM5AEPHX2LMNA
SCHEMBL4796852 0.75 LSS (0.44) KMT2AMEN1
SCHEMBL7210730 0.74 EPHX2 (0.39) KDM5AEPHX2POLBLTA4HKDM4C
SCHEMBL7210727 0.74 EPHX2 (0.39) KDM5AEPHX2POLBLTA4HKDM4C
SCHEMBL7210724 0.73 LTA4H (0.36) KDM5AEPHX2LTA4HKDM4CKDM5C
SCHEMBL7209034 0.73 GBA1 (0.53) KMT2AMEN1LMNAPOLBALDH1A1
SCHEMBL7206210 0.73 MEN1 (0.39) KMT2AMEN1KDM5AEPHX2LTA4H

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