SCHEMBL18938325

SCHEMBL18938325

C#CCCCNC(=O)C1CC(C)[C@@H](O[C@@H]2OC(C)[C@@H](O)C(O)C2O)[C@H](O[C@@H]2OC(CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)O)C2OC(=O)c2ccccc2)C1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 17/20 0.62
▸ SELP P16109 4/20 0.47

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
SCHEMBL22052157 1.00 SELE (0.62) SELESELP
SCHEMBL18938318 0.94 SELE (0.68) SELESELP
SCHEMBL18938319 0.94 SELE (0.68) SELESELP
SCHEMBL14823286 0.92 SELE (0.64) SELESELP
SCHEMBL16378227 0.91 SELE (0.67) SELESELP
SCHEMBL16369311 0.91 SELE (0.67) SELESELP
SCHEMBL11982132 0.89 SELE (0.70) SELESELP
SCHEMBL18938434 0.88 SELE (0.65) SELESELP
SCHEMBL18938441 0.88 SELE (0.65) SELESELP
SCHEMBL11962135 0.88 SELE (0.61) 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
Send feedback