SCHEMBL18922182

SCHEMBL18922182

Cc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2OC(COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@@H](O)C2O)cc1

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.93
CA4 P22748 4/20 0.93
CA7 P43166 4/20 0.93
CYP3A4 P08684 2/20 0.93
TYR P14679 1/20 0.93
CA2 P00918 3/20 0.80
AKR1B1 P15121 2/20 0.79
RPS6KA3 P51812 3/20 0.67
P4HB P07237 3/20 0.65
ACHE P22303 2/20 0.65
POLB P06746 3/20 0.65
GAA P10253 3/20 0.65
APEX1 P27695 2/20 0.65
RECQL P46063 2/20 0.65
XDH P47989 2/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
CBS P35520 1/20 0.64
NQO2 P16083 1/20 0.60
KDM4E B2RXH2 2/20 0.58
KDM1A O60341 1/20 0.57

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
Tiliroside SCHEMBL29366630 0.96 CA12 (1.00) CA12CA4CA7CYP3A4TYR
Tiliroside SCHEMBL12568488 0.96 CA12 (1.00) CA12CA4CA7CYP3A4TYR
Tiliroside SCHEMBL31082442 0.96 CA12 (1.00) CA12CA4CA7CYP3A4TYR
Tiliroside SCHEMBL23597 0.96 CA12 (1.00) CA12CA4CA7CYP3A4TYR
Tiliroside SCHEMBL13963382 0.96 CA12 (1.00) CA12CA4CA7CYP3A4TYR
Tiliroside SCHEMBL12568460 0.96 CA12 (1.00) CA12CA4CA7CYP3A4TYR
Tiliroside SCHEMBL23598 0.96 CA12 (1.00) CA12CA4CA7CYP3A4TYR
Tiliroside SCHEMBL15756208 0.96 CA12 (1.00) CA12CA4CA7CYP3A4TYR
Tiliroside SCHEMBL16131015 0.96 CA12 (1.00) CA12CA4CA7CYP3A4TYR
Tiliroside SCHEMBL28142584 0.96 CA12 (1.00) CA12CA4CA7CYP3A4TYR

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-9669063-B2 Composition for prevention, amelioration or treatment of metabolic syndrome MORISHITA JINTAN CO., LTD. (JP) 2017-06-06 US disclosed