SCHEMBL15434743

SCHEMBL15434743

O=CC1CC(NC(=O)c2cc(O)nc(O)n2)C(O)C(OC2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C(O[C@@H](CC3CCCCC3)C(=O)OCc3ccccc3)C2OC(=O)c2ccccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 7/20 0.40
▸ SELP P16109 5/20 0.33
▸ PTPN1 P18031 1/20 0.30

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
SCHEMBL13312768 0.92 SELE (0.48) SELESELPPTPN1
SCHEMBL13969717 0.88 SELE (0.42) SELESELP
SCHEMBL14823278 0.86 SELE (0.53) SELESELP
SCHEMBL13657359 0.84 SELE (0.43) SELESELP
SCHEMBL19559703 0.84 SELE (0.48) SELESELPPTPN1
SCHEMBL13077624 0.81 SELE (0.45) SELESELP
SCHEMBL12240500 0.81 SELE (0.48) SELESELP
SCHEMBL12419338 0.80 SELE (0.41) SELESELPPTPN1
SCHEMBL13312082 0.79 SELE (0.62) SELESELP
SCHEMBL15434745 0.79 SELE (0.59) 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-8633303-B2 Heterobifunctional pan-selectin inhibitors GLYCOMIMETICS, INC. (US) 2014-01-21 — — US disclosed
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