SCHEMBL6995985

SCHEMBL6995985

COc1ccc2sc(C(=O)OCC(C)(C)C(O)C(C)(C)C)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 18/20 0.51
DYRK1A Q13627 6/20 0.51
DYRK1B Q9Y463 2/20 0.51
CLK2 P49760 4/20 0.48
PPARA Q07869 2/20 0.47
CLK4 Q9HAZ1 3/20 0.46

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
SCHEMBL6998647 0.81 CLK1 (0.53) CLK1DYRK1ADYRK1BCLK2PPARA
SCHEMBL1391285 0.80 CLK1 (0.60) CLK1DYRK1ADYRK1BCLK2PPARA
SCHEMBL6992593 0.77 ICAM1 (0.45) CLK1
SCHEMBL2138351 0.77 CLK1 (0.67) CLK1DYRK1ADYRK1BCLK2CLK4
SCHEMBL6994746 0.76 TAS1R3 (0.52)
SCHEMBL7822377 0.74 SMN1; SMN2 (0.50)
SCHEMBL1867721 0.72 CLK1 (0.68) CLK1DYRK1ADYRK1BCLK2CLK4
SCHEMBL18003474 0.72 PTPN2 (0.54) CLK1DYRK1ADYRK1BCLK2PPARA
SCHEMBL19756734 0.71 CLK1 (0.67) CLK1DYRK1ADYRK1BCLK2CLK4
SCHEMBL7340422 0.71 CLK1 (0.67) CLK1DYRK1ADYRK1BCLK2CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0943618-B1 1,2-dioxetane derivative MATSUMOTO MASAKATSU (JP) 2003-08-27 EP disclosed
US-6218135-B1 EASY TO HANDLE, HEAT STABLE, AND HIGH IN EMISSION EFFICIENCY; FOR IMMUNOASSAYS Matsumoto, Masakatsu (JP) 2001-04-17 US disclosed
EP-0943618-A2 1,2-dioxetane derivative FUJIREBIO INC. (JP) 1999-09-22 EP disclosed