SCHEMBL14229129

SCHEMBL14229129

CC(=O)NC1C(O)CC(O)(C(=O)OCc2ccccc2)OC1[C@H](O)[C@H](O)CO

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAG P20916 2/20 0.52
▸ NANP Q8TBE9 3/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ SIGLEC7 Q9Y286 1/20 0.46
▸ CD22 P20273 3/20 0.44
▸ NEU4 Q8WWR8 2/20 0.42
▸ NEU3 Q9UQ49 2/20 0.42
▸ NEU2 Q9Y3R4 2/20 0.42
▸ NEU1 Q99519 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
SCHEMBL30481193 1.00 MAG (0.52) MAGNANPL3MBTL1SIGLEC7CD22
SCHEMBL12473333 1.00 MAG (0.52) MAGNANPL3MBTL1SIGLEC7CD22
SCHEMBL25702221 1.00 MAG (0.52) MAGNANPL3MBTL1SIGLEC7CD22
SCHEMBL27977966 1.00 MAG (0.52) MAGNANPL3MBTL1SIGLEC7CD22
SCHEMBL14946228 1.00 MAG (0.52) MAGNANPL3MBTL1SIGLEC7CD22
SCHEMBL31500844 1.00 MAG (0.52) MAGNANPL3MBTL1SIGLEC7CD22
SCHEMBL14944652 0.85 L3MBTL1 (0.47) MAGL3MBTL1CD22
SCHEMBL10339608 0.85 NANP (0.58) MAGNANPL3MBTL1SIGLEC7NEU4
SCHEMBL14902867 0.84 NANP (0.44) MAGNANP
SCHEMBL8377625 0.84 NANP (0.58) MAGNANPL3MBTL1SIGLEC7NEU4

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-7361644-B2 Specific antagonist for both E- and P-selectins GLYCOMIMETICS, INC. (US) 2008-04-22 — — US disclosed
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