SCHEMBL13896357

SCHEMBL13896357

CC(=O)CC1OC(CO)[C@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PYGB P11216 5/20 0.51
GAA P10253 1/20 0.47
CA12 O43570 8/20 0.45
CA9 Q16790 8/20 0.45
CA1 P00915 7/20 0.45
CA2 P00918 4/20 0.45
CA4 P22748 2/20 0.45
CA5A P35218 2/20 0.45
CA7 P43166 2/20 0.45
LGALS1 P09382 2/20 0.45
LGALS3 P17931 2/20 0.45
CA3 P07451 1/20 0.45
CA13 Q8N1Q1 1/20 0.45
CA14 Q9ULX7 1/20 0.45
LGALS9 O00182 1/20 0.45
LGALS8 O00214 1/20 0.45

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
SCHEMBL6303355 1.00 PYGB (0.51) PYGBGAACA12CA9CA1
SCHEMBL13401664 1.00 PYGB (0.51) PYGBGAACA12CA9CA1
SCHEMBL3298142 1.00 PYGB (0.51) PYGBGAACA12CA9CA1
SCHEMBL12079329 1.00 PYGB (0.51) PYGBGAACA12CA9CA1
SCHEMBL3294209 1.00 PYGB (0.51) PYGBGAACA12CA9CA1
SCHEMBL12087889 1.00 PYGB (0.51) PYGBGAACA12CA9CA1
SCHEMBL1660605 1.00 PYGB (0.51) PYGBGAACA12CA9CA1
SCHEMBL12878693 1.00 PYGB (0.51) PYGBGAACA12CA9CA1
SCHEMBL12091626 1.00 PYGB (0.51) PYGBGAACA12CA9CA1
SCHEMBL30578655 1.00 PYGB (0.51) PYGBGAACA12CA9CA1

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-8314219-B1 Green detergents from agriculture-based lipids and sugars THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2012-11-20 US disclosed