SCHEMBL2007857

SCHEMBL2007857

COC(=O)CC[C@H]1CCC[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H](CC3CCCCC3)C(=O)O)[C@H]2OCc2ccccc2)[C@@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SELE P16581 16/20 0.62
SELP P16109 3/20 0.41
SLC6A2 P23975 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
SCHEMBL2007858 1.00 SELE (0.62) SELESELPSLC6A2
SCHEMBL2009153 0.91 SELE (0.74) SELESELPSLC6A2
SCHEMBL2009152 0.91 SELE (0.74) SELESELPSLC6A2
SCHEMBL2011094 0.90 SELE (0.77) SELESELP
SCHEMBL2011091 0.90 SELE (0.77) SELESELP
SCHEMBL12881602 0.86 SELE (0.69) SELESELPSLC6A2
SCHEMBL2008173 0.82 SELE (0.63) SELESELPSLC6A2
SCHEMBL2008175 0.82 SELE (0.63) SELESELPSLC6A2
SCHEMBL11982145 0.81 SELE (0.81) SELESELP
SCHEMBL12309113 0.81 SELE (0.91) 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
US-7964569-B2 Oligosaccharide mimetics such as {(1R,2R,3S)-2-[(6-Deoxy- alpha -L-Galactopyranosyl)Oxy]-3-Ethyl-Cyclohex-1-yl}2-O-Benzoyl-3-O-[(1S)-1-Carboxy-2-Cyclohexyl-Ethyl]- beta -D-Galactopyranoside GLYCOMIMETICS, INC. (US) 2011-06-21 US disclosed