SCHEMBL4034580

SCHEMBL4034580

Cn1c(-c2sccc2CCCCc2ccccc2)nc(OC(=O)O)c(O)c1=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 7/20 0.39
FEN1 P39748 2/20 0.38
ERCC1 P07992 1/20 0.38
ERCC4 Q92889 1/20 0.38
PLA2G4A P47712 1/20 0.35
NLRP3 Q96P20 1/20 0.35
CES1 P23141 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 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
SCHEMBL4026147 0.94 FEN1 (0.39) FEN1ERCC1ERCC4
SCHEMBL4026142 0.79 FEN1 (0.57) FEN1ERCC1ERCC4
SCHEMBL4027681 0.78 ERCC1 (0.41) FEN1ERCC1ERCC4
SCHEMBL4028795 0.76 ERCC1 (0.39) FEN1ERCC1ERCC4L3MBTL1
SCHEMBL4031565 0.74 CXCR2 (0.39) FEN1ERCC1ERCC4MAOAMAOB
SCHEMBL4028369 0.73 MEN1 (0.43) FEN1ERCC1ERCC4L3MBTL1
SCHEMBL4032043 0.73 ERCC1 (0.67) FEN1ERCC1ERCC4L3MBTL1
SCHEMBL4026226 0.72 MAOB (0.38) FEN1ERCC1ERCC4L3MBTL1MAOB
SCHEMBL4028226 0.72 MAPK10 (0.42) FEN1ERCC1ERCC4
SCHEMBL4027166 0.72 MEN1 (0.37) FEN1ERCC1ERCC4L3MBTL1

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
EP-1470113-B1 PYRIMIDINONE VIRAL POLYMERASE INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2009-01-07 EP claimed