Sugi Predict

Sugi Predict / Compounds / SCHEMBL18938433

SCHEMBL18938433

SCHEMBL18938433

CCCCOC1C(OC2C(CC)CC(C(=O)OC)CC2OC2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C(O[C@@H](CC3CCCCC3)C(=O)OCc3ccccc3)C2OC(=O)c2ccccc2)OC(C)[C@@H](OCCCC)C1OCCCC

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 13/20 0.47
▸ SELP P16109 6/20 0.36
▸ FGF2 P09038 1/20 0.33
▸ MDK P21741 1/20 0.33
▸ TNF P01375 1/20 0.32

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
SCHEMBL11982131 0.95 SELE (0.45) SELESELPFGF2MDKTNF
SCHEMBL14823284 0.95 SELE (0.45) SELESELPFGF2MDKTNF
SCHEMBL14557803 0.91 SELE (0.43) SELESELPFGF2MDK
SCHEMBL11982149 0.89 SELE (0.51) SELESELPFGF2MDK
SCHEMBL12246579 0.89 SELE (0.49) SELESELP
SCHEMBL12240500 0.87 SELE (0.48) SELESELP
SCHEMBL2010024 0.87 SELE (0.58) SELESELPFGF2MDK
SCHEMBL2010025 0.87 SELE (0.58) SELESELPFGF2MDK
SCHEMBL11898820 0.86 SELE (0.52) SELESELPFGF2MDK
SCHEMBL14932017 0.86 SELE (0.52) SELESELPFGF2MDK

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
WO-2017095904-A1 HETEROBIFUNCTIONAL PAN-SELECTIN ANTAGONISTS HAVING A TRIAZOLE LINKER GLYCOMIMETICS, INC. (US) 2017-06-08 — — WO disclosed
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