SCHEMBL9613560

SCHEMBL9613560

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

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 11/20 0.37
▸ LGALS8 O00214 2/20 0.30

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
SCHEMBL14096760 0.84 SELE (0.47) SELELGALS8
SCHEMBL13824050 0.75 SELE (0.40) SELE
SCHEMBL9613569 0.75 SELE (0.55) SELE
SCHEMBL14097005 0.71 LGALS8 (0.38) SELELGALS8
SCHEMBL12257338 0.70 SELE (0.62) SELE
SCHEMBL9613573 0.69 SELE (0.64) SELE
SCHEMBL11962146 0.67 SELE (0.66) SELE
SCHEMBL12233120 0.66 STAT3 (0.44) SELE
SCHEMBL12909330 0.65 SELE (0.48) SELE
SCHEMBL14096856 0.63 SELE (0.41) 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
EP-2457573-A1 Methods of use of glycomimetics with replacements for hexoses and N-Acetyl hexosamines GlycoMimetics, Inc. (US) 2012-05-30 — — EP disclosed
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