SCHEMBL29432515

SCHEMBL29432515

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

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SELL P14151 1/20 0.68
▸ SELP P16109 1/20 0.68
▸ MAG P20916 9/20 0.59
▸ SIGLEC7 Q9Y286 6/20 0.57
▸ NANP Q8TBE9 2/20 0.51
▸ MAPK1 P28482 1/20 0.44

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
SCHEMBL29356627 0.94 SELP (0.62) SELLSELPMAGSIGLEC7NANP
SCHEMBL17300130 0.94 SELP (0.62) SELLSELPMAGSIGLEC7NANP
SCHEMBL29396615 0.94 SELP (0.62) SELLSELPMAGSIGLEC7NANP
SCHEMBL29432543 0.94 SELP (0.65) SELLSELPMAGSIGLEC7NANP
SCHEMBL29425234 0.93 SELL (0.62) SELLSELPMAGSIGLEC7NANP
SCHEMBL29533149 0.93 SELL (0.62) SELLSELPMAGSIGLEC7NANP
SCHEMBL29393136 0.89 SIGLEC7 (0.66) SELLSELPMAGSIGLEC7NANP
SCHEMBL29355980 0.89 SIGLEC7 (0.66) SELLSELPMAGSIGLEC7NANP
SCHEMBL29454806 0.89 SIGLEC7 (0.66) SELLSELPMAGSIGLEC7NANP
SCHEMBL30943989 0.89 SELP (0.64) SELLSELPMAGSIGLEC7

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-2022057444-A1 SUGAR CHAIN AND COMPOSITIONS THEREOF AND USE THEREOF IN PREVENTION AND/OR TREATMENT OF CORONAVIRUS INFECTION 中国科学院过程工程研究所 2022-03-24 — — WO disclosed
Send feedback