SCHEMBL22247234

SCHEMBL22247234

CNC(=O)[C@H](CC1CCCCC1)OC1C(NC(=O)CN)[C@H](O[C@@H]2CCCC(C)C2O[C@@H]2OC(C)[C@@H](O)C(O)C2O)OC(CO)[C@@H]1O

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 19/20 0.66
▸ SLC5A1 P13866 1/20 0.32
▸ SLC5A2 P31639 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
SCHEMBL22247343 0.93 SELE (0.70) SELE
SCHEMBL22247354 0.90 SELE (0.64) SELE
SCHEMBL22247085 0.86 SELE (0.71) SELE
SCHEMBL22247070 0.85 SELE (0.71) SELE
SCHEMBL16659818 0.84 SELE (0.69) SELE
SCHEMBL17148756 0.83 SELE (0.68) SELE
SCHEMBL22247334 0.83 SELE (0.65) SELE
SCHEMBL22247082 0.82 SELE (0.64) SELE
SCHEMBL11962133 0.81 SELE (0.82) SELE
SCHEMBL17148758 0.81 SELE (0.65) 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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