Sugi Predict

Sugi Predict / Compounds / SCHEMBL806982

SCHEMBL806982

SCHEMBL806982

CCCCCC[C@H](OC1C(OC(=O)c2ccccc2)[C@H](O[C@@H]2CC(C(=O)NCc3cn(CCCCn4ccc5cc([N+](=O)[O-])ccc54)nn3)CC(C)C2O[C@@H]2OC(C)[C@@H](O)C(O)C2O)OC(CO)[C@@H]1O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 13/20 0.48
▸ SELP P16109 9/20 0.42

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
SCHEMBL10053341 0.96 SELE (0.51) SELESELP
SCHEMBL10053342 0.94 SELE (0.49) SELESELP
SCHEMBL10053345 0.94 SELE (0.52) SELESELP
SCHEMBL16378216 0.92 SELE (0.55) SELESELP
SCHEMBL806635 0.92 SELE (0.55) SELESELP
SCHEMBL10053343 0.92 SELE (0.50) SELESELP
SCHEMBL16378170 0.92 SELE (0.54) SELESELP
SCHEMBL806869 0.92 SELE (0.54) SELESELP
SCHEMBL806871 0.90 SELE (0.52) SELESELP
SCHEMBL16378168 0.90 SELE (0.52) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012037034-A1 E-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2012-03-22 — — WO disclosed
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