SCHEMBL14217738

SCHEMBL14217738

CC1CCCC(OC2OC(CO)C(O)C(O[C@@H](CC3CCCCC3)C(=O)OO)C2O)C1OC1OC(C)C(O)C(O)C1O

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 15/20 0.82
▸ STAT3 P40763 2/20 0.36
▸ AMY1A P0DUB6 1/20 0.36
▸ SELP P16109 2/20 0.35
▸ SELL P14151 1/20 0.35

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
SCHEMBL11962133 0.93 SELE (0.82) SELESTAT3AMY1ASELP
SCHEMBL9613573 0.88 SELE (0.64) SELESTAT3SELP
SCHEMBL14217735 0.87 SELE (0.74) SELESELP
SCHEMBL12257310 0.87 SELE (0.77) SELESTAT3AMY1ASELPSELL
SCHEMBL17148739 0.85 SELE (0.69) SELEAMY1ASELP
SCHEMBL17903035 0.84 SELE (1.00) SELESTAT3AMY1ASELP
SCHEMBL17148756 0.84 SELE (0.68) SELESELL
SCHEMBL17148740 0.83 SELE (0.66) SELEAMY1ASELP
SCHEMBL11962146 0.83 SELE (0.66) SELESTAT3SELP
SCHEMBL17148758 0.82 SELE (0.65) SELESELL

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-2008060378-A2 GLYCOMIMETIC REPLACEMENTS FOR HEXOSES AND N-ACETYL HEXOSAMINES GLYCOMIMETICS, INC. (US) 2008-05-22 — — WO disclosed
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