SCHEMBL13295107

SCHEMBL13295107

CC(=O)NCCNC(=O)C1CC(NC(=O)c2cc(O)nc(O)n2)C(OC2OC(C)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O[C@@H](CC3CCCCC3)C(=O)O)C2OC(=O)c2ccccc2)C1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 18/20 0.61
▸ SELP P16109 2/20 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
SCHEMBL15488911 0.96 SELE (0.62) SELESELP
SCHEMBL14558013 0.95 SELE (0.61) SELESELP
SCHEMBL15214014 0.93 SELE (0.65) SELESELP
SCHEMBL13657266 0.93 SELE (0.65) SELESELP
SCHEMBL19559698 0.92 SELE (0.66) SELESELP
SCHEMBL14823276 0.92 SELE (0.71) SELESELP
SCHEMBL13312745 0.88 SELE (0.48) SELESELP
SCHEMBL16257570 0.88 SELE (0.69) SELESELP
SCHEMBL13040187 0.88 SELE (0.54) SELESELP
SCHEMBL12240052 0.87 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
US-7728117-B2 Heterobifunctional pan-selectin inhibitors GLYCOMIMETICS, INC. (US) 2010-06-01 — — US disclosed
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