SCHEMBL22247352

SCHEMBL22247352

C[C@@H]1O[C@@H](O[C@@H]2CCCC[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H](CC3CCCCC3)C(=O)O)[C@H]2N)[C@@H](O)[C@H](O)[C@@H]1O

nearest known ligand 0.86

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 16/20 0.86
▸ SELP P16109 2/20 0.38
▸ SYNJ2 O15056 1/20 0.37
▸ AMY1A P0DUB6 1/20 0.36

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
SCHEMBL17903035 0.93 SELE (1.00) SELESELPAMY1A
SCHEMBL18211304 0.84 SELE (0.88) SELESELPAMY1A
SCHEMBL13272239 0.84 SELE (0.88) SELESELPAMY1A
SCHEMBL17903034 0.84 SELE (0.88) SELESELPAMY1A
SCHEMBL12085698 0.84 SELE (0.88) SELESELPAMY1A
SCHEMBL12903232 0.82 SELE (0.77) SELESELP
SCHEMBL19491830 0.82 SELE (0.73) SELESELP
SCHEMBL12903105 0.82 SELE (0.81) SELESELP
SCHEMBL22247083 0.82 SELE (0.68) SELESYNJ2AMY1A
SCHEMBL22247343 0.81 SELE (0.70) 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-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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