SCHEMBL8514365

SCHEMBL8514365

O=C(O[C@@H]1[C@@H](O[C@@H](CC2CCCCC2)C(=O)O)[C@@H](O)[C@@H](CO)O[C@H]1O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 10/20 0.55
▸ LGALS9 O00182 3/20 0.50
▸ LGALS1 P09382 3/20 0.50
▸ LGALS3 P17931 3/20 0.50
▸ LGALS7; LGALS7B P47929 2/20 0.50
▸ SELP P16109 8/20 0.46
▸ LGALS8 O00214 1/20 0.40

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
SCHEMBL8515435 1.00 SELE (0.55) SELELGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL8514368 1.00 SELE (0.55) SELELGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL14823281 1.00 SELE (0.55) SELELGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL8515431 0.94 SELE (0.62) SELELGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL12239769 0.91 SELE (0.59) SELELGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL8515429 0.90 SELE (0.56) SELELGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL13077057 0.86 SELE (0.57) SELELGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL22798303 0.82 SELE (0.64) SELE
SCHEMBL18653472 0.82 SELE (0.64) SELE
SCHEMBL26102195 0.80 LGALS3 (0.70) SELELGALS9LGALS1LGALS3LGALS7; LGALS7B

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-2074132-B1 GLYCOMIMETIC REPLACEMENTS FOR HEXOSES AND N-ACETYL HEXOSAMINES GLYCOMIMETICS INC (US) 2013-05-15 — — EP disclosed
EP-2457573-A1 Methods of use of glycomimetics with replacements for hexoses and N-Acetyl hexosamines GlycoMimetics, Inc. (US) 2012-05-30 — — EP disclosed
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