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SCHEMBL19559699

SCHEMBL19559699

CC(=O)C(C)C1C(O)CC(OC2C(O)C(CO)OC(OC3CC(C(=O)NCCNC(=O)COCCOCC(=O)O)CC(NC(=O)c4cc(O)nc(O)n4)C3OC3OC(C)C(O)C(O)C3O)C2OC(=O)c2ccccc2)(C(=O)O)OC1[C@H](O)[C@H](O)CO

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 7/20 0.46
▸ SELP P16109 2/20 0.38
▸ SELL P14151 1/20 0.37
▸ MAG P20916 7/20 0.37
▸ CD22 P20273 1/20 0.33
▸ SIGLEC7 Q9Y286 1/20 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
SCHEMBL15839400 0.87 SELE (0.43) SELESELPSELLMAG
SCHEMBL12420062 0.86 SELE (0.48) SELESELPSELLMAGSIGLEC7
SCHEMBL15434868 0.85 SELE (0.42) SELESELPSELLMAG
SCHEMBL15434865 0.84 SELE (0.41) SELESELPSELLMAGSIGLEC7
SCHEMBL15434864 0.83 SELE (0.42) SELESELPSELLMAG
SCHEMBL12421186 0.83 SELE (0.50) SELESELPSELLMAGSIGLEC7
SCHEMBL15839430 0.82 SELE (0.55) SELESELPSELLMAGSIGLEC7
SCHEMBL15434869 0.82 SELE (0.41) SELESELPSELLMAG
SCHEMBL19559698 0.81 SELE (0.66) SELESELP
SCHEMBL14557931 0.78 SELE (0.42) SELESELPSELLMAG

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-2264043-B1 Heterobifunctional pan-selectin inhibitors GLYCOMIMETICS INC (US) 2017-11-08 — — EP disclosed
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