SCHEMBL28529577

SCHEMBL28529577

Cc1ccc(S[C@@H]2O[C@H](CO)[C@@H](O)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 10/20 0.51
SLC6A2 P23975 1/20 0.46
LGALS1 P09382 2/20 0.45
LGALS9 O00182 1/20 0.45
SSTR4 P31391 2/20 0.43
SSTR5 P35346 2/20 0.43

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
SCHEMBL5326029 0.92 LGALS3 (0.44) LGALS3SLC6A2LGALS1LGALS9SSTR4
SCHEMBL5326841 0.92 LGALS3 (0.44) LGALS3SLC6A2LGALS1LGALS9SSTR4
SCHEMBL5689179 0.92 SLC6A2 (0.50) LGALS3SLC6A2LGALS1LGALS9
SCHEMBL19818851 0.91 LGALS3 (0.43) LGALS3SLC6A2LGALS1LGALS9SSTR4
SCHEMBL19674440 0.89 LGALS3 (0.58) LGALS3SLC6A2LGALS1LGALS9SSTR4
SCHEMBL19674473 0.89 LGALS3 (0.58) LGALS3SLC6A2LGALS1LGALS9SSTR4
SCHEMBL24086075 0.84 SLC6A2 (0.53) LGALS3SLC6A2LGALS1LGALS9
SCHEMBL21851777 0.84 SLC6A2 (0.53) LGALS3SLC6A2LGALS1LGALS9
SCHEMBL23603942 0.83 SSTR4 (0.49) LGALS3SLC6A2LGALS1LGALS9SSTR4
SCHEMBL23603944 0.83 SSTR4 (0.49) LGALS3SLC6A2LGALS1LGALS9SSTR4

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
CN-112266398-A Key disaccharide repeating unit of glucuronic acid mannan oligosaccharide and preparation method thereof 中国科学院海洋研究所 2021-01-26 CN disclosed