SCHEMBL5265337

SCHEMBL5265337

CC(C)CCc1cccc2c(=O)oc(=O)[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.41
CFD P00746 1/20 0.41
ELANE P08246 5/20 0.38
HCAR2 Q8TDS4 3/20 0.37
HCAR3 P49019 1/20 0.37
SORT1 Q99523 1/20 0.36
MAP1LC3B Q9GZQ8 2/20 0.35
MAP1LC3A Q9H492 2/20 0.35
MCL1 Q07820 1/20 0.35
PARP1 P09874 1/20 0.33
MAOA P21397 1/20 0.33
ACHE P22303 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL28302703 0.84 DAO (0.46) F2CFDELANEMCL1
SCHEMBL18832746 0.82 F2 (0.49) F2CFDELANEMCL1
SCHEMBL28329330 0.81 PBRM1 (0.45) F2CFDELANEHCAR2HCAR3
SCHEMBL28328122 0.80 MAPT (0.45) F2CFDELANEMCL1PARP1
SCHEMBL5265332 0.77 F2 (0.41) F2CFDELANEHCAR2HCAR3
SCHEMBL15823884 0.74 FEN1 (0.55) F2CFDELANEMCL1MAOA
SCHEMBL27899000 0.74 F2 (0.44) F2CFDMCL1
SCHEMBL8135133 0.73 ELANE (0.49) F2CFDELANEMCL1MAOA
SCHEMBL2060660 0.72 F2 (0.52) F2CFDELANEMCL1
SCHEMBL21658311 0.71 F2 (0.55) F2CFDELANEMCL1PARP1

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
EP-1786807-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2007-05-23 EP disclosed
WO-2006021340-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2006-03-02 WO disclosed