SCHEMBL19559703

SCHEMBL19559703

COC(=O)C1CC(NC(=O)c2cc(O)nc(O)n2)C(O)C(OC2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C(O[C@H](C)CC3CCCCC3)C2OC(=O)c2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 7/20 0.48
▸ SELP P16109 5/20 0.33
▸ PTPN1 P18031 2/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HRAS P01112 1/20 0.31

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
SCHEMBL13312082 0.87 SELE (0.62) SELESELP
SCHEMBL16257568 0.86 SELE (0.60) SELESELP
SCHEMBL15434745 0.86 SELE (0.59) SELESELP
SCHEMBL16257616 0.85 SELE (0.58) SELESELP
SCHEMBL13969719 0.84 SELE (0.51) SELESELP
SCHEMBL15434743 0.84 SELE (0.40) SELESELPPTPN1
SCHEMBL3006760 0.82 SELE (0.57) SELESELP
SCHEMBL13017796 0.81 SELE (0.52) SELESELP
SCHEMBL12240500 0.80 SELE (0.48) 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
EP-2264043-B1 Heterobifunctional pan-selectin inhibitors GLYCOMIMETICS INC (US) 2017-11-08 — — EP disclosed
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