SCHEMBL8996538

SCHEMBL8996538

O=C(O)c1cc(O)c2c(c1O)C(=O)c1c(O)ccc(O)c1C2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 2/20 0.50
THRB P10828 4/20 0.47
MEN1 O00255 9/20 0.47
KMT2A Q03164 9/20 0.47
KDM4E B2RXH2 8/20 0.47
MAPT P10636 7/20 0.47
USP2 O75604 2/20 0.47
ALDH1A1 P00352 7/20 0.46
HPGD P15428 7/20 0.46
HSD17B10 Q99714 6/20 0.46
RECQL P46063 5/20 0.46
CYP3A4 P08684 4/20 0.46
ALOX15 P16050 4/20 0.46
TDP1 Q9NUW8 4/20 0.46
CSNK2A1 P68400 3/20 0.46
BRCA1 P38398 3/20 0.46
MAOA P21397 3/20 0.46
CSNK2A2 P19784 2/20 0.46
CSNK2B P67870 2/20 0.46
CSNK2A3 Q8NEV1 2/20 0.46

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
SCHEMBL8996324 0.85 FTO (0.68) FTOTHRBMEN1KMT2AKDM4E
SCHEMBL8996447 0.84 MAPT (0.66) FTOTHRBMEN1KMT2AKDM4E
SCHEMBL7158879 0.79 SELL (0.52) FTOTHRBMEN1KMT2AKDM4E
SCHEMBL3275730 0.77 MAPT (0.67) THRBMEN1KMT2AKDM4EMAPT
SCHEMBL7160699 0.76 MEN1 (0.54) FTOTHRBMEN1KMT2AKDM4E
SCHEMBL9173749 0.74 MAPT (0.61) THRBMEN1KMT2AKDM4EMAPT
SCHEMBL3192484 0.73 CSNK2A2 (0.70) THRBMEN1KMT2AKDM4EMAPT
Cynodontin SCHEMBL31310659 0.72 MAPT (0.88) THRBMEN1KMT2AKDM4EMAPT
Cynodontin SCHEMBL9172388 0.72 MAPT (0.88) THRBMEN1KMT2AKDM4EMAPT
SCHEMBL23896699 0.72 CSNK2A2 (0.56) FTOTHRBMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0570091-A1 Anthraquinone derivatives, process for their preparation and their use as medicaments LILLY INDUSTRIES LIMITED (GB) 1993-11-18 EP claimed
US-5480873-A ARTHRITIS LILLY INDUSTRIES LIMITED (GB) 1996-01-02 US disclosed
CN-1079732-A Medical compounds LILLY INDUSTRIES LTD (GB) 1993-12-22 CN disclosed
EP-0570091-A1 Anthraquinone derivatives, process for their preparation and their use as medicaments LILLY INDUSTRIES LIMITED (GB) 1993-11-18 EP disclosed