SCHEMBL7477920

SCHEMBL7477920

CCOC(=O)C(C(=O)OCC)c1cccc(O[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.42
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
DRD2 P14416 1/20 0.38
L3MBTL1 Q9Y468 5/20 0.38
ATM Q13315 1/20 0.38
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA9 Q16790 3/20 0.37
MAPK1 P28482 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
FAAH O00519 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL6886727 0.83 DRD2 (0.40) HSP90AA1HSP90AB1DRD2L3MBTL1ATM
SCHEMBL19423022 0.81 CASP1 (0.44) HSP90AA1HSP90AB1DRD2L3MBTL1ATM
SCHEMBL10727946 0.79 L3MBTL1 (0.48) MMP8L3MBTL1MAPK1TDP1TSHR
SCHEMBL6881332 0.79 CYSLTR2 (0.42) HSP90AA1HSP90AB1DRD2L3MBTL1MAPK1
SCHEMBL1433326 0.79 L3MBTL1 (0.56) MMP8L3MBTL1MAPK1TDP1TSHR
SCHEMBL3280559 0.78 LMNA (0.43) HSP90AA1HSP90AB1L3MBTL1CA12CA1
SCHEMBL24628720 0.77 PTGS1 (0.50) HSP90AA1HSP90AB1L3MBTL1ATMCA12
SCHEMBL19423114 0.77 DRD2 (0.36) HSP90AA1HSP90AB1DRD2L3MBTL1ATM
SCHEMBL29077435 0.77 PTGS1 (0.60) HSP90AA1HSP90AB1L3MBTL1ATMCA12
SCHEMBL1275697 0.77 GPR139 (0.45) MMP8L3MBTL1MAPK1TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869947-B1 BARBITURIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS ROCHE DIAGNOSTICS GMBH (DE) 2002-10-23 EP disclosed
US-6110924-A MATRIX METALLOPROTEASE INHIBITORS ROCHE DIAGNOSTICS GMBH (DE) 2000-08-29 US disclosed
EP-0869947-A1 NEW BARBITURIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1998-10-14 EP disclosed
WO-1997023465-A1 NEW BARBITURIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1997-07-03 WO disclosed