SCHEMBL22227447

SCHEMBL22227447

CO[C@@H]1OC(C)[C@H](OC(C)=O)C(OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 5/20 0.49
CA2 P00918 5/20 0.49
CA12 O43570 4/20 0.49
CA1 P00915 4/20 0.49
OGA O60502 1/20 0.39
CYP2D6 P10635 3/20 0.39
THRB P10828 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
BCHE P06276 1/20 0.38
F10 P00742 1/20 0.36
MMP9 P14780 1/20 0.35
MMP12 P39900 1/20 0.35
RPS6KA3 P51812 1/20 0.32
RPS6KA1 Q15418 1/20 0.32
NR3C1 P04150 1/20 0.32
FYN P06241 1/20 0.32
ADRA2A P08913 1/20 0.32
ADORA3 P0DMS8 1/20 0.32

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
SCHEMBL7154767 1.00 CA9 (0.49) CA9CA2CA12CA1OGA
SCHEMBL27425163 1.00 CA9 (0.49) CA9CA2CA12CA1OGA
SCHEMBL7148616 1.00 CA9 (0.49) CA9CA2CA12CA1OGA
SCHEMBL8153537 1.00 CA9 (0.49) CA9CA2CA12CA1OGA
SCHEMBL12651757 1.00 CA9 (0.49) CA9CA2CA12CA1OGA
SCHEMBL8152918 1.00 CA9 (0.49) CA9CA2CA12CA1OGA
SCHEMBL7152382 1.00 CA9 (0.49) CA9CA2CA12CA1OGA
SCHEMBL7642475 1.00 CA9 (0.49) CA9CA2CA12CA1OGA
SCHEMBL21575613 1.00 CA9 (0.49) CA9CA2CA12CA1OGA
SCHEMBL7152054 1.00 CA9 (0.49) CA9CA2CA12CA1OGA

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
US-20200224235-A1 NOVEL STEVIOL GLYCOSIDE AND PRODUCTION METHOD THEREFOR, AND SWEETENER COMPOSITION CONTAINING SAME SUNTORY HOLDINGS LIMITED (JP) 2020-07-16 US disclosed