SCHEMBL9613569

SCHEMBL9613569

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)C2OC(=O)c2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 15/20 0.55
▸ SELP P16109 7/20 0.40

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
SCHEMBL9613575 0.89 SELE (0.57) SELESELP
SCHEMBL14096760 0.89 SELE (0.47) SELE
SCHEMBL9613582 0.86 SELE (0.52) SELESELP
SCHEMBL12945076 0.85 SELE (0.51) SELESELP
SCHEMBL12257332 0.85 SELE (0.65) SELESELP
SCHEMBL9613593 0.84 SELE (0.66) SELESELP
SCHEMBL11982132 0.84 SELE (0.70) SELESELP
SCHEMBL12942287 0.83 SELE (0.57) SELESELP
SCHEMBL12909328 0.83 SELE (0.54) SELESELP
SCHEMBL11962140 0.83 SELE (0.68) SELESELP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2457573-A1 Methods of use of glycomimetics with replacements for hexoses and N-Acetyl hexosamines GlycoMimetics, Inc. (US) 2012-05-30 — — EP disclosed
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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