SCHEMBL21554948

SCHEMBL21554948

CCC1OC(CO)C(COCC2OC(CO)C(COCC3OC(CO)C(CC)C(O)C3O)C(O)C2O)C(O)C1O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.36
FBP1 P09467 1/20 0.33
SLC6A2 P23975 1/20 0.31
PYGB P11216 2/20 0.30
GAA P10253 1/20 0.30
LGALS1 P09382 2/20 0.30
LGALS3 P17931 2/20 0.30
LGALS9 O00182 1/20 0.30
LGALS8 O00214 1/20 0.30

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
SCHEMBL15281520 0.95 CA2 (0.37) CA2FBP1SLC6A2PYGBGAA
SCHEMBL15462243 0.95 CA2 (0.37) CA2FBP1SLC6A2PYGBGAA
SCHEMBL15280935 0.95 CA2 (0.37) CA2FBP1SLC6A2PYGBGAA
SCHEMBL25834664 0.94 CA2 (0.39) CA2FBP1SLC6A2PYGBGAA
SCHEMBL14185961 0.91 CA2 (0.35) CA2FBP1SLC6A2PYGB
SCHEMBL22130784 0.91 CA2 (0.35) CA2FBP1SLC6A2PYGB
SCHEMBL14197413 0.91 CA2 (0.35) CA2FBP1SLC6A2PYGB
SCHEMBL12761989 0.91 CA2 (0.35) CA2FBP1SLC6A2PYGB
SCHEMBL19880125 0.91 CA2 (0.35) CA2FBP1SLC6A2PYGB
SCHEMBL13292758 0.91 CA2 (0.35) CA2FBP1SLC6A2PYGB

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-20190337852-A1 REINFORCED UNFIRED BRICKS FOSSOUO KENGE AUBIN ROQUE (US) 2019-11-07 US disclosed