SCHEMBL17411325

SCHEMBL17411325

CC1(C)OB(c2ccc(-c3c(O)cccc3O)cc2)OC1(C)C

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 13/20 0.61
LPL P06858 12/20 0.61
CA1 P00915 5/20 0.44
CA2 P00918 5/20 0.44
CA9 Q16790 5/20 0.44
CA12 O43570 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
F11 P03951 1/20 0.43
P4HB P07237 1/20 0.41

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
SCHEMBL2265622 0.81 LIPG (0.64) LIPGLPLCA1CA2CA9
SCHEMBL28389622 0.81 LIPG (0.88) LIPGLPLCA1CA2CA9
SCHEMBL19858597 0.80 LIPG (0.85) LIPGLPLCA1CA2CA9
SCHEMBL22722776 0.80 LIPG (0.85) LIPGLPLCA1CA2CA9
SCHEMBL24608995 0.79 LIPG (0.83) LIPGLPLCA1CA2CA9
SCHEMBL2707320 0.79 LIPG (0.83) LIPGLPLCA1CA2CA9
SCHEMBL13855173 0.79 LIPG (0.70) LIPGLPLCA1CA2CA9
SCHEMBL4813824 0.78 LIPG (0.69) LIPGLPLCA1CA2CA9
SCHEMBL23750301 0.78 LIPG (0.69) LIPGLPLCA1CA2CA9
SCHEMBL30638490 0.77 LIPG (0.67) LIPGLPL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113549010-B Preparation and application of compound with AMPK (AMPK) agonistic activity and prodrug thereof 中国科学院上海药物研究所 2023-10-20 CN disclosed
WO-2016001224-A1 NOVEL ACTIVATORS OF AMP-ACTIVATED PROTEIN KINASES DEBIOPHARM INTERNATIONAL S.A. (CH) 2016-01-07 WO disclosed