SCHEMBL7749645

SCHEMBL7749645

OC[C@H]1O[C@@H](Sc2ccccc2)[C@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.63
▸ CA1 P00915 2/20 0.63
▸ CA2 P00918 2/20 0.63
▸ CA4 P22748 2/20 0.63
▸ CA5A P35218 2/20 0.63
▸ CA7 P43166 2/20 0.63
▸ CA5B Q9Y2D0 2/20 0.63
▸ LGALS3 P17931 6/20 0.55
▸ LGALS1 P09382 2/20 0.55
▸ LGALS9 O00182 1/20 0.55
▸ LGALS8 O00214 1/20 0.55
▸ SLC5A1 P13866 1/20 0.50
▸ SLC5A2 P31639 1/20 0.50

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
SCHEMBL19079137 1.00 CA12 (0.63) CA12CA1CA2CA4CA5A
SCHEMBL10314115 1.00 CA12 (0.63) CA12CA1CA2CA4CA5A
SCHEMBL15652629 1.00 CA12 (0.63) CA12CA1CA2CA4CA5A
SCHEMBL12136357 1.00 CA12 (0.63) CA12CA1CA2CA4CA5A
SCHEMBL14429226 1.00 CA12 (0.63) CA12CA1CA2CA4CA5A
SCHEMBL18239900 1.00 CA12 (0.63) CA12CA1CA2CA4CA5A
SCHEMBL19664275 1.00 CA12 (0.63) CA12CA1CA2CA4CA5A
SCHEMBL2484480 1.00 CA12 (0.63) CA12CA1CA2CA4CA5A
SCHEMBL15694578 1.00 CA12 (0.63) CA12CA1CA2CA4CA5A
SCHEMBL8004889 1.00 CA12 (0.63) CA12CA1CA2CA4CA5A

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-2001042264-A1 METHOD FOR THE SYNTHESIS OF SIALYLATED OLIGOSACCHARIDE DONORS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2001-06-14 — — WO disclosed
Send feedback