SCHEMBL16404708

SCHEMBL16404708

COC(=O)CCCCCCCCOC1OC(CO)C(OC2OC(CO)C(O)C(OC3(C(=O)O)CC(O)C(NC(C)=O)C([C@H](O)[C@H](O)CO)O3)C2O)C(OC2OC(C)C(O)C(O)C2O)C1NC(=O)c1ccc(O)cc1O

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 5/20 0.63
▸ SIGLEC7 Q9Y286 6/20 0.57
▸ MAG P20916 5/20 0.56
▸ SELP P16109 2/20 0.53
▸ SELL P14151 2/20 0.53

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
SCHEMBL12903201 0.91 SELE (0.57) SELESIGLEC7MAGSELPSELL
SCHEMBL12903216 0.89 SELE (0.62) SELESIGLEC7MAGSELPSELL
SCHEMBL17903026 0.88 SELE (0.49) SELESIGLEC7MAGSELPSELL
SCHEMBL18211305 0.88 SELE (0.66) SELESIGLEC7MAGSELPSELL
SCHEMBL17903216 0.88 SELE (0.49) SELESIGLEC7MAGSELPSELL
SCHEMBL12903206 0.87 SIGLEC7 (0.60) SELESIGLEC7MAGSELPSELL
SCHEMBL12903209 0.84 SELE (0.66) SELESIGLEC7MAGSELPSELL
SCHEMBL26172909 0.84 SIGLEC7 (0.66) SELESIGLEC7MAGSELPSELL
SCHEMBL17571111 0.83 SIGLEC7 (0.65) SELESIGLEC7MAGSELPSELL
SCHEMBL12903205 0.83 SELE (0.55) SELESIGLEC7MAGSELPSELL

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-2249854-B1 TREATMENT OF IMMUNOCOMPROMISED CONDITIONS WITH E-SELECTIN ANTAGONIST AND G-CSF MATER MEDICAL RES INST (AU) 2015-01-21 — — EP disclosed
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