SCHEMBL6633396

SCHEMBL6633396

CCOc1c(C(=O)O)nc(-c2occc2C=O)n(C)c1=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.34
ERCC1 P07992 1/20 0.33
FEN1 P39748 1/20 0.33
ERCC4 Q92889 1/20 0.33
MAPT P10636 2/20 0.31
TP53 P04637 2/20 0.30
HPGD P15428 2/20 0.30
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL4026364 0.91 KDM4E (0.35) HPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL4024972 0.80 ADORA3 (0.39) PTGS1MAPTHPGDKDM4EALDH1A1
SCHEMBL4025328 0.70 TP53 (0.34) PTGS1ERCC1FEN1ERCC4MAPT
SCHEMBL4031399 0.70 ERCC1 (0.49) ERCC1FEN1ERCC4MAPTHPGD
SCHEMBL4031394 0.70 ERCC1 (0.49) ERCC1FEN1ERCC4MAPTHPGD
SCHEMBL4027375 0.68 L3MBTL1 (0.49) HPGDKDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL27276226 0.66 OGFRL1 (0.49)
SCHEMBL30710400 0.65 TP53 (0.31) PTGS1TP53
SCHEMBL27275782 0.65 KDM5B (0.40) MAPTKDM4EALDH1A1CYP1A2
SCHEMBL22927770 0.65 NR3C1 (0.41) PTGS1MAPTTP53ALDH1A1CYP1A2

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-1470113-A1 PYRIMIDINONE VIRAL POLYMERASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2004-10-27 EP disclosed
WO-2003062211-A1 PYRIMIDINONE VIRAL POLYMERASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2003-07-31 WO disclosed