SCHEMBL16015183

SCHEMBL16015183

CC1(C)OC(N[C@@]23C[C@@H]4C[C@@H](C[C@@](O)(C4)C2)C3)=NS(=O)(=O)C1(C)C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 6/20 0.35
GSK3B P49841 5/20 0.35
DPP4 P27487 5/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
HSD11B1 P28845 2/20 0.32
CNR1 P21554 3/20 0.32
CNR2 P34972 3/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA1 P30542 1/20 0.32
AURKA O14965 1/20 0.31
EPHX2 P34913 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
SCHEMBL16649307 1.00 GSK3A (0.35) GSK3AGSK3BDPP4DPP8DPP7
SCHEMBL16649516 0.74
SCHEMBL1606552 0.69 DPP4 (0.34) GSK3AGSK3BDPP4DPP8DPP7
SCHEMBL5017231 0.68 HSD11B1 (0.47) GSK3AGSK3BDPP4DPP8DPP7
SCHEMBL1605453 0.66 CNR2 (0.37) GSK3AGSK3BDPP4DPP8DPP7
SCHEMBL12313398 0.62 PKM (0.40) DPP4DPP8HSD11B1EPHX2
SCHEMBL13444794 0.62 GRIN2D (0.56) DPP4DPP8EPHX2
SCHEMBL5614585 0.62 GRIN2D (0.56) DPP4DPP8EPHX2
SCHEMBL15114218 0.61 GRIN2D (0.47) DPP4DPP8HSD11B1CNR1CNR2
SCHEMBL2853219 0.61 DPP4 (0.50) DPP4DPP8DPP7EPHX2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8828994-B2 Di- and tri-substituted oxathiazine derivatives, method for the production thereof, use thereof as medicine and drug containing said derivatives and use thereof SANOFI (FR) 2014-09-09 US disclosed