SCHEMBL7470332

SCHEMBL7470332

CCC(C)OC(=O)C(CCCCc1ccc(C)cc1)(C(=O)O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.38
EDNRA P25101 2/20 0.38
CHRM2 P08172 1/20 0.37
CHRM3 P20309 1/20 0.37
HRH1 P35367 3/20 0.36
KCNH2 Q12809 1/20 0.36
PLAAT3 P53816 1/20 0.36
PLAAT5 Q96KN8 1/20 0.36
PLAAT2 Q9NWW9 1/20 0.36
PLAAT4 Q9UL19 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KIF11 P52732 4/20 0.35
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
EPHX2 P34913 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
SCHEMBL3726228 0.81 MAPT (0.41) CHRM2CHRM3KCNH2KIF11MAPT
SCHEMBL7470323 0.80 HRH1 (0.41) EDNRBEDNRACHRM2CHRM3HRH1
SCHEMBL3727328 0.77 MAPT (0.42) CHRM2CHRM3KCNH2KIF11MAPT
SCHEMBL7615614 0.76 SMN1; SMN2 (0.42) SMN1; SMN2MAPTEPHX2
SCHEMBL3725222 0.76 MEN1 (0.39) CHRM2CHRM3SMN1; SMN2MAPT
SCHEMBL28053840 0.73 MAPT (0.50) TDP1SMN1; SMN2MAPT
SCHEMBL3257459 0.72 SMN1; SMN2 (0.43) SMN1; SMN2MAPTEPHX2
SCHEMBL28053716 0.72 MAPT (0.53) TDP1SMN1; SMN2MAPT
SCHEMBL5062056 0.71 MAPT (0.40) CHRM2CHRM3KCNH2SMN1; SMN2MAPT
SCHEMBL7620591 0.70 FFAR1 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6472396-B1 Barbituric acid derivatives, processes for their production and pharmaceutical agents containing these compounds ROCHE DIAGNOSTICS GMBH (DE) 2002-10-29 US disclosed
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