SCHEMBL5613348

SCHEMBL5613348

CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cccc1C2=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.73
KDM4E B2RXH2 4/20 0.73
KMT2A Q03164 3/20 0.73
MAPT P10636 3/20 0.73
MAPK1 P28482 3/20 0.73
HPGD P15428 3/20 0.73
LMNA P02545 3/20 0.73
TTR P02766 2/20 0.73
MEN1 O00255 2/20 0.73
HTT P42858 2/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
ABCC4 O15439 1/20 0.73
USP2 O75604 1/20 0.73
TP53 P04637 1/20 0.73
HSP90AA1 P07900 1/20 0.73
CHRM2 P08172 1/20 0.73
HSP90AB1 P08238 1/20 0.73
HTR1A P08908 1/20 0.73
ADRA2A P08913 1/20 0.73
ADORA3 P0DMS8 1/20 0.73

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
SCHEMBL11101186 0.93 TTR (0.72) ALDH1A1KDM4EKMT2AMAPTMAPK1
SCHEMBL9538649 0.92 MEN1 (0.64) ALDH1A1KDM4EKMT2AMAPTMAPK1
SCHEMBL23743764 0.92 KMT2A (0.64) ALDH1A1KDM4EKMT2AMAPTMAPK1
SCHEMBL11526641 0.89 PIM1 (0.69) ALDH1A1KDM4EKMT2AMAPTMAPK1
SCHEMBL14003223 0.88 TTR (0.71) ALDH1A1KDM4EKMT2AMAPTMAPK1
SCHEMBL11000611 0.87 KDM4E (0.59) ALDH1A1KDM4EKMT2AMAPTMAPK1
SCHEMBL11526060 0.87 EGFR (0.63) ALDH1A1KDM4EKMT2AMAPTMAPK1
SCHEMBL16549421 0.87 TTR (0.82) ALDH1A1KDM4EKMT2AMAPTMAPK1
SCHEMBL5822019 0.86 KDM4E (0.58) ALDH1A1KDM4EKMT2AMAPTMAPK1
SCHEMBL1287084 0.86 KDM4E (0.58) ALDH1A1KDM4EKMT2AMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037992-A1 Method for the purification of crude diacerein by means of toluene FANCHINI UMBERTO B C 2007-02-15 US disclosed
EP-1669344-A1 METHOD FOR THE PURIFICATION OF CRUDE DIACEREIN BY MEANS OF TOLUENE Interquim, S.A. De C.V. (MX) 2006-06-14 EP disclosed
US-4244968-A HYDROXY- AND AMINO-ANTHRAQUINONES PROTER S.P.A. (IT) 1981-01-13 US disclosed