SCHEMBL22073063

SCHEMBL22073063

CO[C@H]1[C@H](O)[C@@H](CO)OC(OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LGALS8 O00214 8/20 0.54
CD69 Q07108 1/20 0.43
PTPN1 P18031 1/20 0.41
LGALS9 O00182 2/20 0.41
OGA O60502 1/20 0.40
THRB P10828 2/20 0.40
CYP2D6 P10635 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LGALS3 P17931 2/20 0.39
PYGB P11216 1/20 0.39
LGALS4 P56470 1/20 0.38
CA2 P00918 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL661256 0.95 LGALS8 (0.55) LGALS8CD69PTPN1THRBLGALS3
SCHEMBL661257 0.95 LGALS8 (0.55) LGALS8CD69PTPN1THRBLGALS3
SCHEMBL7535550 0.92 LGALS8 (0.50) LGALS8CD69PTPN1LGALS9OGA
SCHEMBL7539269 0.92 LGALS8 (0.50) LGALS8CD69PTPN1LGALS9OGA
SCHEMBL15906242 0.92 LGALS8 (0.50) LGALS8CD69PTPN1LGALS9OGA
SCHEMBL14974995 0.92 LGALS8 (0.50) LGALS8CD69PTPN1LGALS9OGA
SCHEMBL15985656 0.92 LGALS8 (0.50) LGALS8CD69PTPN1LGALS9OGA
SCHEMBL7535545 0.92 LGALS8 (0.50) LGALS8CD69PTPN1LGALS9OGA
SCHEMBL7539275 0.92 LGALS8 (0.50) LGALS8CD69PTPN1LGALS9OGA
SCHEMBL25503300 0.92 LGALS8 (0.50) LGALS8CD69PTPN1LGALS9OGA

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
WO-2020114418-A1 ANTICOAGULANT PENTASACCHARIDE COMPOUND, COMPOSITION, AND PREPARATION METHOD AND MEDICAL USE THEREOF 南京正大天晴制药有限公司 2020-06-11 WO disclosed