SCHEMBL9613520

SCHEMBL9613520

CC1CCCC(CC2OC(CO)C(O)C(O/C(=C\C3CCCCC3)C(=O)NO)C2OC(=O)c2ccccc2)C1OC1OC(C)C(O)C(O)C1O

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 11/20 0.48
▸ SELP P16109 8/20 0.40
▸ LGALS9 O00182 2/20 0.36
▸ LGALS1 P09382 2/20 0.36
▸ LGALS3 P17931 2/20 0.36
▸ LGALS7; LGALS7B P47929 2/20 0.36

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
SCHEMBL13824366 0.90 SELE (0.49) SELESELPLGALS9LGALS1LGALS3
SCHEMBL12942205 0.89 SELE (0.56) SELESELP
SCHEMBL12945076 0.84 SELE (0.51) SELESELP
SCHEMBL9613447 0.81 LGALS3 (0.46) SELESELPLGALS9LGALS1LGALS3
SCHEMBL9613575 0.81 SELE (0.57) SELESELPLGALS9LGALS1LGALS3
SCHEMBL12942287 0.79 SELE (0.57) SELESELP
SCHEMBL9613569 0.74 SELE (0.55) SELESELP
SCHEMBL9613582 0.74 SELE (0.52) SELESELP
SCHEMBL13824098 0.73 SELP (0.41) SELESELPLGALS9LGALS1LGALS3
SCHEMBL9613545 0.72 SELE (0.57) SELESELPLGALS9LGALS1LGALS3

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
Send feedback