SCHEMBL8765619

SCHEMBL8765619

CC(=O)Oc1cc(O)cc(OC(C)=O)c1OC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 3/20 0.53
HTT P42858 2/20 0.46
PREP P48147 2/20 0.46
CELA1 Q9UNI1 1/20 0.46
MAPT P10636 4/20 0.45
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
GAA P10253 3/20 0.45
POLB P06746 2/20 0.45
APEX1 P27695 2/20 0.45
RECQL P46063 2/20 0.45
BLM P54132 2/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPK1 P28482 1/20 0.44
CYP3A4 P08684 2/20 0.44
TNFSF11 O14788 1/20 0.44
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL8765614 0.82 TOP1 (0.53) TOP1HTTMAPTKDM4EALDH1A1
SCHEMBL10053943 0.82 TOP1 (0.53) TOP1HTTMAPTKDM4EALDH1A1
SCHEMBL8779405 0.80 TOP1 (0.51) TOP1HTTMAPTKDM4EALDH1A1
SCHEMBL6023659 0.80 CYP3A4 (0.52) KDM4EALDH1A1GAAPOLBBLM
SCHEMBL9744205 0.79 TDP1 (0.52) HTTPREPCELA1MAPTKDM4E
3,4,5-Triacetoxybenzoic Acid SCHEMBL716891 0.78 KDM4E (0.63) TOP1HTTMAPTKDM4EALDH1A1
SCHEMBL3600800 0.77 HSD17B10 (0.55) TOP1HTTPREPCELA1MAPT
SCHEMBL3293017 0.77 POLB (0.51) TOP1HTTMAPTKDM4EALDH1A1
SCHEMBL9313940 0.77 TOP1 (0.57) TOP1HTTMAPTKDM4EALDH1A1
SCHEMBL2939004 0.77 FNTA (0.55) TOP1HTTMAPTKDM4EALDH1A1

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-0778267-A1 SULFONAMIDE DERIVATIVES AND INSECTICIDE, MITICIDE AND NEMATICIDE CONTAINING THE SAME OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-06-11 EP disclosed