SCHEMBL8716285

SCHEMBL8716285

[CH](CCCc1ccccc1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.45
G6PC1 P35575 1/20 0.45
EPHX1 P07099 3/20 0.44
KMT2A Q03164 1/20 0.43
OPRM1 P35372 1/20 0.43
SLC18A3 Q16572 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL8939789 0.95 EPHX1 (0.47) EPHX2G6PC1EPHX1KMT2AOPRM1
SCHEMBL1005726 0.89 G6PC1 (0.47) EPHX2G6PC1EPHX1HTTL3MBTL1
SCHEMBL20896988 0.83 OPRM1 (0.44) OPRM1
SCHEMBL18409970 0.81 GRIN1 (0.43) EPHX2G6PC1EPHX1OPRM1SLC18A3
SCHEMBL25239973 0.79 HRH3 (0.44)
SCHEMBL678829 0.77 G6PC1 (0.50) EPHX2G6PC1EPHX1
SCHEMBL6497263 0.77 GRIN1 (0.53) EPHX2G6PC1EPHX1HTTL3MBTL1
SCHEMBL6497259 0.77 GRIN1 (0.53) EPHX2G6PC1EPHX1HTTL3MBTL1
SCHEMBL7392306 0.76 EPHX2 (0.43) EPHX2EPHX1KMT2AOPRM1SLC18A3
SCHEMBL7665557 0.75 G6PC1 (0.47) EPHX2G6PC1

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-0836610-A1 DIGLYCOSYLATED 1,2-DIOLS AS MIMETICS OF SIALYL-LEWIS X AND SIALYL-LEWIS A Novartis AG (CH) 1998-04-22 EP claimed
WO-1997001569-A1 DIGLYCOSYLATED 1,2-DIOLS AS MIMETICS OF SIALYL-LEWIS X AND SIALYL-LEWIS A NOVARTIS AG (CH) 1997-01-16 WO claimed