SCHEMBL21391501

SCHEMBL21391501

CCOC(=O)CCCC(=O)C[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H](C[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SIGLEC7 Q9Y286 6/20 0.49
▸ MAG P20916 9/20 0.45
▸ SELP P16109 2/20 0.42
▸ SELL P14151 1/20 0.42
▸ SELE P16581 1/20 0.39
▸ LGALS8 O00214 1/20 0.38
▸ LGALS3 P17931 1/20 0.38
▸ LGALS4 P56470 1/20 0.38

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
SCHEMBL22906137 0.90 SIGLEC7 (0.61) SIGLEC7MAGSELPSELLSELE
SCHEMBL21391504 0.88 SIGLEC7 (0.53) SIGLEC7MAGSELPSELL
SCHEMBL25809851 0.83 SELP (0.54) SIGLEC7MAGSELPSELLSELE
SCHEMBL22151977 0.82 SIGLEC7 (0.54) SIGLEC7MAGSELPSELLSELE
SCHEMBL13272215 0.79 SELP (0.56) SIGLEC7MAGSELPSELLSELE
SCHEMBL13272074 0.79 SELP (0.58) SIGLEC7MAGSELPSELLSELE
SCHEMBL24661126 0.77 SELP (0.49) SIGLEC7MAGSELPSELLSELE
SCHEMBL20694728 0.77 SIGLEC7 (0.55) SIGLEC7MAGSELPSELLLGALS8
SCHEMBL22906139 0.77 SIGLEC7 (0.67) SIGLEC7MAGSELPSELLSELE
SCHEMBL25964233 0.75 SIGLEC7 (0.51) SIGLEC7MAGSELPSELLSELE

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-2019182087-A1 OLIGOSACCHARIDE C-GLYCOSIDE DERIVATIVES OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2019-09-26 — — WO disclosed
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