SCHEMBL20122292

SCHEMBL20122292

CC(=O)NC1C([C@H](O)[C@H](O)CO)O[C@](C(=O)O)(C(C)C)C[C@H]1O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NANP Q8TBE9 3/20 0.53
▸ NEU2 Q9Y3R4 4/20 0.48
▸ NEU4 Q8WWR8 3/20 0.48
▸ NEU3 Q9UQ49 3/20 0.48
▸ NEU1 Q99519 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MAG P20916 1/20 0.43
▸ SELL P14151 1/20 0.42
▸ SELP P16109 1/20 0.42
▸ LMNA P02545 1/20 0.42

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
SCHEMBL23640384 1.00 NANP (0.53) NANPNEU2NEU4NEU3NEU1
SCHEMBL25518923 1.00 NANP (0.53) NANPNEU2NEU4NEU3NEU1
SCHEMBL26774745 0.92 NANP (0.53) NANPNEU2NEU4NEU3NEU1
SCHEMBL23640226 0.90 L3MBTL1 (0.44) NANPNEU2NEU4NEU3NEU1
SCHEMBL26774832 0.88 NANP (0.50) NANPNEU2NEU4NEU3NEU1
SCHEMBL26774790 0.87 NANP (0.52) NANPNEU2NEU4NEU3NEU1
SCHEMBL26774774 0.87 NEU1 (0.52) NANPNEU2NEU4NEU3NEU1
SCHEMBL26774810 0.86 L3MBTL1 (0.41) NANPNEU2NEU4NEU3NEU1
SCHEMBL26774733 0.85 NEU2 (0.54) NANPNEU2NEU4NEU3NEU1
SCHEMBL23640238 0.83 NANP (0.54) NANPNEU2NEU4NEU3NEU1

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-9963729-B2 Diversification of human milk oligosaccharides (HMOs) or precursors thereof GLYCOM A/S (DK) 2018-05-08 — — US disclosed
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