SCHEMBL14944302

SCHEMBL14944302

BOC1C(O[C@@H](CC2CCCCC2)C(=O)O)[C@@H](O)C(CO)O[C@H]1OC1CCCC(CCCC)C1O[C@@H]1OC(C)C(O)C(O)C1O

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 19/20 0.68
▸ SELL P14151 1/20 0.36
▸ SELP P16109 1/20 0.36

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
SCHEMBL11982145 0.88 SELE (0.81) SELESELP
SCHEMBL2014305 0.84 SELE (0.88) SELESELP
SCHEMBL19491830 0.82 SELE (0.73) SELESELP
SCHEMBL17903035 0.81 SELE (1.00) SELESELP
SCHEMBL14214814 0.81 SELE (0.71) SELESELLSELP
SCHEMBL12894557 0.81 SELE (0.66) SELESELLSELP
SCHEMBL16659817 0.81 SELE (0.74) SELESELL
SCHEMBL12309113 0.81 SELE (0.91) SELESELP
SCHEMBL2003434 0.81 SELE (0.91) SELESELP
SCHEMBL2009153 0.81 SELE (0.74) 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
EP-2074132-B1 GLYCOMIMETIC REPLACEMENTS FOR HEXOSES AND N-ACETYL HEXOSAMINES GLYCOMIMETICS INC (US) 2013-05-15 — — EP disclosed
Send feedback