SCHEMBL806862

SCHEMBL806862

CC1CC(C(=O)NCc2cn(Cn3ccc4cc([N+](=O)[O-])ccc43)nn2)C[C@@H](O[C@@H]2OC(CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)O)C2OC(=O)c2ccccc2)C1O[C@@H]1OC(C)[C@@H](O)C(O)C1O

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 18/20 0.52
▸ SELP P16109 2/20 0.39

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
SCHEMBL16378231 1.00 SELE (0.52) SELESELP
SCHEMBL806871 0.96 SELE (0.52) SELESELP
SCHEMBL16378168 0.96 SELE (0.52) SELESELP
SCHEMBL806638 0.96 SELE (0.54) SELESELP
SCHEMBL16378222 0.96 SELE (0.54) SELESELP
SCHEMBL16378216 0.95 SELE (0.55) SELESELP
SCHEMBL806635 0.95 SELE (0.55) SELESELP
SCHEMBL16378170 0.95 SELE (0.54) SELESELP
SCHEMBL806869 0.95 SELE (0.54) SELESELP
SCHEMBL807222 0.95 SELE (0.57) 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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