SCHEMBL18938441

SCHEMBL18938441

CCC1CC(C(=O)NCCCC#C[Si](C)(C)C)C[C@@H](OC2OC(CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)O)C2OC(=O)c2ccccc2)C1O[C@@H]1OC(C)[C@@H](O)C(O)C1O

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 18/20 0.65
▸ SELP P16109 2/20 0.44

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
SCHEMBL18938434 1.00 SELE (0.65) SELESELP
SCHEMBL18938319 0.94 SELE (0.68) SELESELP
SCHEMBL18938318 0.94 SELE (0.68) SELESELP
SCHEMBL22052157 0.88 SELE (0.62) SELESELP
SCHEMBL18938325 0.88 SELE (0.62) SELESELP
SCHEMBL18938430 0.87 SELE (0.77) SELESELP
SCHEMBL22050894 0.87 SELE (0.77) SELESELP
SCHEMBL14823286 0.84 SELE (0.64) SELESELP
SCHEMBL2003434 0.83 SELE (0.91) SELESELP
SCHEMBL2003436 0.83 SELE (0.91) 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
WO-2017095904-A1 HETEROBIFUNCTIONAL PAN-SELECTIN ANTAGONISTS HAVING A TRIAZOLE LINKER GLYCOMIMETICS, INC. (US) 2017-06-08 — — WO disclosed
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