SCHEMBL22247343

SCHEMBL22247343

CC1CCC[C@@H](O[C@@H]2OC(CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)O)C2NC(=O)CN)C1O[C@@H]1OC(C)[C@@H](O)C(O)C1O

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 19/20 0.70
▸ SELP P16109 1/20 0.35

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
SCHEMBL22247085 0.94 SELE (0.71) SELESELP
SCHEMBL22247234 0.93 SELE (0.66) SELE
SCHEMBL22247070 0.92 SELE (0.71) SELE
SCHEMBL22247354 0.91 SELE (0.64) SELE
SCHEMBL22247082 0.89 SELE (0.64) SELESELP
SCHEMBL16659820 0.86 SELE (0.63) SELESELP
SCHEMBL19939765 0.86 SELE (0.63) SELESELP
SCHEMBL16659818 0.85 SELE (0.69) SELE
SCHEMBL17148756 0.84 SELE (0.68) SELE
SCHEMBL16659817 0.84 SELE (0.74) 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
Send feedback