SCHEMBL12778459

SCHEMBL12778459

C[C@@]1(C(=O)O)CC(O)[C@@H](NC(=O)CCl)C([C@H](O)[C@H](O)CO)O1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ NANP Q8TBE9 3/20 0.42
▸ NEU3 Q9UQ49 3/20 0.41
▸ NEU1 Q99519 7/20 0.39
▸ NEU2 Q9Y3R4 6/20 0.39
▸ NEU4 Q8WWR8 2/20 0.39
▸ CD22 P20273 3/20 0.37
▸ MAG P20916 2/20 0.37

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
SCHEMBL16542274 1.00 L3MBTL1 (0.44) L3MBTL1NANPNEU3NEU1NEU2
SCHEMBL23640153 0.91 L3MBTL1 (0.46) L3MBTL1NANPNEU3NEU1NEU2
SCHEMBL26774721 0.89 L3MBTL1 (0.44) L3MBTL1NANPNEU3NEU1NEU2
SCHEMBL20306037 0.87 NANP (0.54) L3MBTL1NANPNEU3NEU1NEU2
SCHEMBL13895451 0.87 NANP (0.54) L3MBTL1NANPNEU3NEU1NEU2
SCHEMBL23635227 0.87 NANP (0.54) L3MBTL1NANPNEU3NEU1NEU2
SCHEMBL13895438 0.87 NANP (0.54) L3MBTL1NANPNEU3NEU1NEU2
SCHEMBL23640238 0.87 NANP (0.54) L3MBTL1NANPNEU3NEU1NEU2
SCHEMBL2742891 0.87 NANP (0.54) L3MBTL1NANPNEU3NEU1NEU2
SCHEMBL12361497 0.85 L3MBTL1 (0.59) L3MBTL1NANPNEU3NEU1NEU2

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-2305311-A2 Glycoconjugation of peptides BioGeneriX AG (DE) 2011-04-06 — — EP disclosed
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