SCHEMBL7530216

SCHEMBL7530216

COc1ccc(-c2cn(CC(=O)O)c3c(OC)ccc(OC)c3c2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.44
GFER P55789 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
CNR2 P34972 1/20 0.40
ALDH1A1 P00352 5/20 0.39
CYP3A4 P08684 3/20 0.39
KDM4E B2RXH2 2/20 0.39
RAB9A P51151 2/20 0.39
HSD17B10 Q99714 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
PDE4B Q07343 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL7257548 0.86 RAB9A (0.43) GFERALDH1A1KDM4ERAB9ANPC1
SCHEMBL7261277 0.85 TDP1 (0.42) GFERCNR2ALDH1A1KDM4ERAB9A
SCHEMBL7256831 0.85 MEN1 (0.43) GFERCNR2ALDH1A1CYP3A4KDM4E
SCHEMBL7532023 0.81 EGFR (0.48) PTGS2GFERALDH1A1CYP3A4KDM4E
SCHEMBL2581807 0.81 CHRM1 (0.45) PTGS2GFERPTGDR2CNR2RAB9A
SCHEMBL7257598 0.81 ALDH1A1 (0.39) GFERCNR2ALDH1A1CYP3A4KDM4E
SCHEMBL7257557 0.79 KDM4E (0.44) CNR2ALDH1A1CYP3A4KDM4ERAB9A
SCHEMBL7262279 0.78 FLT3 (0.40) GFERCNR2ALDH1A1CYP3A4KDM4E
SCHEMBL7256736 0.78 CNR2 (0.40) GFERCNR2ALDH1A1CYP3A4KDM4E
SCHEMBL7256724 0.77 KDM4E (0.40) CNR2ALDH1A1CYP3A4KDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202971-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING 4-QUINOLONES LABORATOIRE L. LAFON (FR) 2002-05-08 EP claimed
WO-2002022074-A2 USE OF 2- AND 4- QUINOLONES FOR INHIBITING INTIMAL NEO-PROLIFERATION LABORATOIRE L. LAFON (FR) 2002-03-21 WO claimed
WO-2001012607-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING 4-QUINOLONES FOR TREATING CANCERS LAFON LABOR (FR) 2001-11-22 WO claimed
WO-2001012607-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING 4-QUINOLONES FOR TREATING CANCERS LABORATOIRE L. LAFON (FR) 2001-02-22 WO claimed
EP-1202971-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING 4-QUINOLONES LABORATOIRE L. LAFON (FR) 2002-05-08 EP disclosed
WO-2002022074-A2 USE OF 2- AND 4- QUINOLONES FOR INHIBITING INTIMAL NEO-PROLIFERATION LABORATOIRE L. LAFON (FR) 2002-03-21 WO disclosed
WO-2001012607-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING 4-QUINOLONES FOR TREATING CANCERS LABORATOIRE L. LAFON (FR) 2001-02-22 WO disclosed