SCHEMBL14932018

SCHEMBL14932018

CCCC[C@H]1CCC[C@@H](O[C@H]2O[C@H](COC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H](O[C@@H](CC3CCCCC3)C(=O)OCc3ccccc3)[C@H]2OC(=O)c2ccccc2)[C@H]1O[C@@H]1O[C@H](C)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SELE P16581 12/20 0.52
SELP P16109 7/20 0.35
FGF2 P09038 1/20 0.32
MDK P21741 1/20 0.32
NT5E P21589 1/20 0.32

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
SCHEMBL11898820 1.00 SELE (0.52) SELESELPFGF2MDKNT5E
SCHEMBL14932017 1.00 SELE (0.52) SELESELPFGF2MDKNT5E
SCHEMBL11982149 0.97 SELE (0.51) SELESELPFGF2MDK
SCHEMBL2010025 0.94 SELE (0.58) SELESELPFGF2MDKNT5E
SCHEMBL2010024 0.94 SELE (0.58) SELESELPFGF2MDKNT5E
SCHEMBL11899209 0.92 SELE (0.49) SELESELPFGF2MDKNT5E
SCHEMBL11899208 0.92 SELE (0.49) SELESELPFGF2MDKNT5E
SCHEMBL12246579 0.91 SELE (0.49) SELESELP
SCHEMBL2007774 0.90 SELE (0.44) SELENT5E
SCHEMBL2007771 0.90 SELE (0.44) SELENT5E

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-2074132-B1 GLYCOMIMETIC REPLACEMENTS FOR HEXOSES AND N-ACETYL HEXOSAMINES GLYCOMIMETICS INC (US) 2013-05-15 EP disclosed