SCHEMBL7207158

SCHEMBL7207158

CCCCCCNCCCCCCOC1CCC(N(C)C(=O)OC(C)(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.37
GBA1 P04062 4/20 0.34
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
LSS P48449 1/20 0.32
HSD11B1 P28845 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
MAPK1 P28482 1/20 0.31
PLA2G2C Q5R387 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 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
SCHEMBL7207150 1.00 EPHX2 (0.37) EPHX2GBA1CA12CA1CA2
SCHEMBL7207147 0.87 LSS (0.36) EPHX2GBA1LSSHSD11B1
SCHEMBL7204746 0.87 LSS (0.36) EPHX2GBA1LSSHSD11B1
SCHEMBL7204748 0.87 LSS (0.36) EPHX2GBA1LSSHSD11B1
SCHEMBL7209643 0.87 LSS (0.36) EPHX2GBA1LSSHSD11B1
SCHEMBL7207162 0.87 LSS (0.36) EPHX2GBA1LSSHSD11B1
SCHEMBL7209647 0.87 LSS (0.36) EPHX2GBA1LSSHSD11B1
SCHEMBL7204704 0.86 EPHX2 (0.36) EPHX2GBA1LSSHSD11B1
SCHEMBL7204707 0.86 EPHX2 (0.36) EPHX2GBA1LSSHSD11B1
SCHEMBL7204813 0.86 HSD11B1 (0.34) EPHX2CA12CA1CA2CA9

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