SCHEMBL8765614

SCHEMBL8765614

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
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 4/20 0.45
BLM P54132 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
MAPT P10636 3/20 0.45
RECQL P46063 3/20 0.45
KMT2A Q03164 3/20 0.45
GAA P10253 3/20 0.45
POLB P06746 2/20 0.45
APEX1 P27695 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPK1 P28482 2/20 0.44
TNFSF11 O14788 1/20 0.44
HSD17B10 Q99714 3/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 2/20 0.43
ALOX15 P16050 2/20 0.43
TSHR P16473 2/20 0.42

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
SCHEMBL10053943 0.82 TOP1 (0.53) TOP1HTTKDM4EALDH1A1BLM
SCHEMBL8765619 0.82 TOP1 (0.53) TOP1HTTKDM4EALDH1A1BLM
SCHEMBL8779405 0.80 TOP1 (0.51) TOP1HTTKDM4EALDH1A1BLM
3,4,5-Triacetoxybenzoic Acid SCHEMBL716891 0.78 KDM4E (0.63) TOP1HTTKDM4EALDH1A1BLM
SCHEMBL3293017 0.77 POLB (0.51) TOP1HTTKDM4EALDH1A1BLM
SCHEMBL8830632 0.77 TOP1 (0.57) TOP1HTTKDM4EALDH1A1BLM
3,4,5-Triacetoxybenzoic Acid SCHEMBL9491767 0.77 KDM4E (0.61) TOP1HTTKDM4EALDH1A1BLM
3,4,5-Triacetoxybenzoic Acid SCHEMBL10620428 0.77 KDM4E (0.61) TOP1HTTKDM4EALDH1A1BLM
SCHEMBL2939004 0.77 FNTA (0.55) TOP1HTTKDM4EALDH1A1BLM
SCHEMBL9313940 0.77 TOP1 (0.57) TOP1HTTKDM4EALDH1A1BLM

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