SCHEMBL28628550

SCHEMBL28628550

O[C@H]1[C@H](O)COC(c2c[nH]nn2)[C@@H]1O

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 1/20 0.31
SLC5A2 P31639 1/20 0.31

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
SCHEMBL28617337 0.69 SLC5A2 (0.44) SLC5A2
SCHEMBL30467317 0.69 SLC5A2 (0.44) SLC5A2
SCHEMBL7031601 0.67 ALDH1A1 (0.37) SLC5A1SLC5A2
SCHEMBL4170109 0.66
SCHEMBL25260517 0.64 SLC5A1 (0.34) SLC5A1SLC5A2
SCHEMBL6551424 0.64 SLC5A1 (0.34) SLC5A1SLC5A2
SCHEMBL7034896 0.64 SLC5A1 (0.34) SLC5A1SLC5A2
SCHEMBL6551870 0.64 SLC5A1 (0.34) SLC5A1SLC5A2
SCHEMBL8771730 0.64 SLC5A1 (0.34) SLC5A1SLC5A2
SCHEMBL8771738 0.64 SLC5A1 (0.34) SLC5A1SLC5A2

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-113429446-A Isoxazole derivative containing xylose triazole structure and preparation method and application thereof 绍兴文理学院元培学院 2021-09-24 CN disclosed