SCHEMBL8009469

SCHEMBL8009469

COc1ccc(CO[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2Sc2ccc(O)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 4/20 0.49
SLC5A1 P13866 2/20 0.49
LGALS3 P17931 4/20 0.46
LGALS9 O00182 2/20 0.46
LGALS7; LGALS7B P47929 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
LGALS8 O00214 1/20 0.43
LGALS1 P09382 1/20 0.43
TYR P14679 1/20 0.43
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
CA5A P35218 2/20 0.41
CA7 P43166 2/20 0.41
CA5B Q9Y2D0 2/20 0.41

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
SCHEMBL8002977 0.89 GJB2 (0.45) SLC5A2SLC5A1LGALS3LGALS9LGALS7; LGALS7B
SCHEMBL8626763 0.83 SLC5A2 (0.49) SLC5A2SLC5A1LGALS3LGALS9NPC1
SCHEMBL12136365 0.83 SLC5A2 (0.50) SLC5A2SLC5A1LGALS3LGALS9LGALS7; LGALS7B
SCHEMBL5689669 0.83 SLC5A2 (0.54) SLC5A2SLC5A1LGALS3LGALS9LGALS7; LGALS7B
SCHEMBL8002967 0.81 GJB2 (0.45) SLC5A2SLC5A1
SCHEMBL8336996 0.80 SLC5A2 (0.46) SLC5A2SLC5A1LGALS3LGALS9LGALS7; LGALS7B
SCHEMBL11026134 0.80 SLC5A2 (0.48) SLC5A2SLC5A1NPC1RAB9A
SCHEMBL10933223 0.80 SLC5A1 (0.63) SLC5A2SLC5A1LGALS3LGALS9LGALS7; LGALS7B
SCHEMBL5326829 0.80 SLC5A1 (0.63) SLC5A2SLC5A1LGALS3LGALS9LGALS7; LGALS7B
SCHEMBL5326843 0.80 SLC5A1 (0.63) SLC5A2SLC5A1LGALS3LGALS9LGALS7; LGALS7B

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-6040433-A Sulfinyl hexose derivatives useful for glycosylation THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2000-03-21 US disclosed