SCHEMBL22816906

SCHEMBL22816906

CC(C1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C)C1(C)OB(c2ccc3c(c2)OCCO3)OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPL P06858 12/20 0.36
LIPG Q9Y5X9 12/20 0.36
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
ESR2 Q92731 1/20 0.32
CA12 O43570 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
F11 P03951 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
SCHEMBL14212260 0.84 LPL (0.44) LPLLIPGCA1CA2CA9
SCHEMBL29634547 0.84 LPL (0.44) LPLLIPGCA1CA2CA9
SCHEMBL15335321 0.78 LPL (0.42) LPLLIPGCA1CA2CA9
SCHEMBL30544472 0.75 LPL (0.44) LPLLIPGCA1CA2CA9
SCHEMBL3148663 0.75 LPL (0.44) LPLLIPGCA1CA2CA9
SCHEMBL16382823 0.70 CA1 (0.40) LPLLIPGPTGS1PTGS2CA1
SCHEMBL29775936 0.68 PRKCI (0.41) LPLLIPGF11
SCHEMBL4427556 0.68 PRKCI (0.41) LPLLIPGF11
SCHEMBL1803570 0.68 LPL (0.41) LPLLIPGCA1CA2CA9
SCHEMBL20527113 0.67 MAOB (0.51)

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
WO-2020257487-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2020-12-24 WO disclosed