SCHEMBL13896479

SCHEMBL13896479

C=C(C)NC1C(O)CC(C)(C(=O)O)OC1C(O)C(O)CO

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ NANP Q8TBE9 3/20 0.45
▸ NEU3 Q9UQ49 3/20 0.38
▸ NEU2 Q9Y3R4 3/20 0.38
▸ NEU4 Q8WWR8 2/20 0.38
▸ NEU1 Q99519 2/20 0.38
▸ SELL P14151 1/20 0.37
▸ SELP P16109 1/20 0.37
▸ MAG P20916 2/20 0.36
▸ SIGLEC7 Q9Y286 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
SCHEMBL2742891 0.91 NANP (0.54) L3MBTL1NANPNEU3NEU2NEU4
SCHEMBL13895451 0.91 NANP (0.54) L3MBTL1NANPNEU3NEU2NEU4
SCHEMBL20306037 0.91 NANP (0.54) L3MBTL1NANPNEU3NEU2NEU4
SCHEMBL23635227 0.91 NANP (0.54) L3MBTL1NANPNEU3NEU2NEU4
SCHEMBL13895438 0.91 NANP (0.54) L3MBTL1NANPNEU3NEU2NEU4
SCHEMBL23640238 0.91 NANP (0.54) L3MBTL1NANPNEU3NEU2NEU4
SCHEMBL23640153 0.87 L3MBTL1 (0.46) L3MBTL1NANPNEU3NEU2NEU4
SCHEMBL16542274 0.85 L3MBTL1 (0.44) L3MBTL1NANPNEU3NEU2NEU4
SCHEMBL26774721 0.85 L3MBTL1 (0.44) L3MBTL1NANPNEU3NEU2NEU4
SCHEMBL12778459 0.85 L3MBTL1 (0.44) L3MBTL1NANPNEU3NEU2NEU4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1934236-B1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS INC (US) 2012-11-21 — — EP disclosed
WO-2007028050-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS, INC. (US) 2007-03-08 — — WO disclosed
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