SCHEMBL12240501

SCHEMBL12240501

CC1OC(OC2C(NC(=O)c3cc(O)nc(O)n3)CC(C(=O)O)CC2OC2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C(O[C@@H](CC3CCCCC3)C(=O)O)C2OC(=O)c2ccccc2)C(O)=CC1O

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 8/20 0.46
▸ SELP P16109 5/20 0.33

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
SCHEMBL13969719 0.96 SELE (0.51) SELESELP
SCHEMBL13657359 0.94 SELE (0.43) SELESELP
SCHEMBL3006760 0.91 SELE (0.57) SELESELP
SCHEMBL13312082 0.86 SELE (0.62) SELESELP
SCHEMBL16257616 0.86 SELE (0.58) SELESELP
SCHEMBL14823278 0.84 SELE (0.53) SELESELP
SCHEMBL13657266 0.84 SELE (0.65) SELESELP
SCHEMBL13017796 0.83 SELE (0.52) SELESELP
SCHEMBL16257568 0.82 SELE (0.60) SELESELP
SCHEMBL13077624 0.82 SELE (0.45) 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-8039442-B2 Compounds and methods for treatment of sickle cell disease or complications associated therewith GLYCOMIMETICS, INC. (US) 2011-10-18 — — US disclosed
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