SCHEMBL22247370

SCHEMBL22247370

CC1CCC[C@@H](O[C@@H]2OC(CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)N3CCC3)C2NC(=O)CNC(=O)COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)NCC(=O)NC2C(O[C@@H](CC3CCCCC3)C(=O)N3CCC3)[C@@H](O)C(CO)O[C@H]2O[C@@H]2CCCC(C)C2O[C@@H]2OC(C)[C@@H](O)C(O)C2O)C(O[C@@H]2OC(C)[C@@H](O)C(O)C2O)C1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 19/20 0.54

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
SCHEMBL22247089 0.86 SELE (0.59) SELE
SCHEMBL22247354 0.85 SELE (0.64) SELE
SCHEMBL22247099 0.83 SELE (0.53) SELE
SCHEMBL22247363 0.81 SELE (0.54) SELE
SCHEMBL22247371 0.81 SELE (0.54) SELE
SCHEMBL22247366 0.81 SELE (0.52) SELE
SCHEMBL22247313 0.80 SELE (0.51) SELE
SCHEMBL22247085 0.80 SELE (0.71) SELE
SCHEMBL22247334 0.79 SELE (0.65) SELE
SCHEMBL22247082 0.78 SELE (0.64) SELE

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-2020150263-A1 SELECTIN OR GALECTIN ANTAGONISTS FOR TREATING CYTOKINE RELEASE SYNDROME AND CRS-INDUCED NEUROTOXICITY MAGNANI JOHN L (US) 2020-07-23 — — WO disclosed
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