SCHEMBL9613545

SCHEMBL9613545

CC1CCCC(OC2OC(CO)C(O)C(OCC(=O)NO)C2OC(=O)c2ccccc2)C1OC1OC(C)C(O)C(O)C1O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 11/20 0.57
▸ SELP P16109 8/20 0.46
▸ LGALS9 O00182 1/20 0.40
▸ LGALS1 P09382 1/20 0.40
▸ LGALS3 P17931 1/20 0.40
▸ LGALS7; LGALS7B P47929 1/20 0.40
▸ FGF1 P05230 1/20 0.39
▸ FGF2 P09038 1/20 0.39
▸ VEGFA P15692 1/20 0.39
▸ HPSE Q9Y251 1/20 0.39

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
SCHEMBL12942205 0.84 SELE (0.56) SELESELP
SCHEMBL11962145 0.83 SELE (0.73) SELESELP
SCHEMBL12257313 0.83 SELE (0.72) SELESELP
SCHEMBL12902993 0.82 SELE (0.55) SELESELP
SCHEMBL11981958 0.81 SELE (0.79) SELESELP
SCHEMBL11962134 0.81 SELE (0.74) SELESELP
SCHEMBL9613575 0.81 SELE (0.57) SELESELPLGALS9LGALS1LGALS3
SCHEMBL14217735 0.80 SELE (0.74) SELESELP
SCHEMBL9613558 0.79 SELE (0.75) SELESELP
SCHEMBL12942287 0.79 SELE (0.57) SELESELP

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-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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