SCHEMBL14096760

SCHEMBL14096760

COC(=O)C1CC(C)C(OC2OC(C)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O/C(=C\C3CCCCC3)C(=O)OO)C2O)C1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 14/20 0.47
▸ STAT3 P40763 3/20 0.37
▸ AMY1A P0DUB6 1/20 0.33
▸ SELL P14151 1/20 0.33
▸ LGALS8 O00214 1/20 0.33

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
SCHEMBL9613569 0.89 SELE (0.55) SELE
SCHEMBL9613560 0.84 SELE (0.37) SELELGALS8
SCHEMBL12257338 0.81 SELE (0.62) SELESTAT3
SCHEMBL9613573 0.81 SELE (0.64) SELESTAT3
SCHEMBL12909330 0.80 SELE (0.48) SELESTAT3AMY1A
SCHEMBL11962146 0.79 SELE (0.66) SELESTAT3
SCHEMBL9613575 0.76 SELE (0.57) SELE
SCHEMBL12233120 0.76 STAT3 (0.44) SELESTAT3
SCHEMBL9613582 0.73 SELE (0.52) SELE
SCHEMBL9613593 0.73 SELE (0.66) SELE

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-2008100453-A1 METHODS OF USE OF GLYCOMIMETICS WITH REPLACEMENTS FOR HEXOSES AND N-ACETYL HEXOSAMINES GLYCOMIMETICS, INC. (US) 2008-08-21 — — WO disclosed
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