Sugi Predict

Sugi Predict / Compounds / SCHEMBL14823285

SCHEMBL14823285

SCHEMBL14823285

COC(=O)C1C[C@@H](C)C(O[C@@H]2OC(C)[C@@H](O)C(O)[C@@H]2O)[C@H](O[C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)C(O[C@@H](CC3CCCCC3)C(=O)O)C2OC(=O)c2ccccc2)C1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 14/20 0.59
▸ SELP P16109 7/20 0.48

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
SCHEMBL12309117 1.00 SELE (0.59) SELESELP
SCHEMBL11982132 0.91 SELE (0.70) SELESELP
SCHEMBL14944255 0.91 SELE (0.50) SELESELP
SCHEMBL13077061 0.88 SELE (0.48) SELESELP
SCHEMBL11962140 0.88 SELE (0.68) SELESELP
SCHEMBL9613593 0.87 SELE (0.66) SELESELP
SCHEMBL14823289 0.87 SELE (0.65) SELESELP
SCHEMBL13312082 0.87 SELE (0.62) SELESELP
SCHEMBL11981960 0.85 SELE (0.58) SELESELP
SCHEMBL12257332 0.85 SELE (0.65) 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-8410066-B2 Heterobifunctional inhibitors of E-selectins and CXCR4 chemokine receptors GLYCOMIMETICS, INC. (US) 2013-04-02 — — US disclosed
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