Diacerein

Diacerein

SCHEMBL5051685

CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O.CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 9/20 1.00
ALDH1A1 P00352 5/20 1.00
KDM4E B2RXH2 4/20 1.00
HPGD P15428 3/20 1.00
MEN1 O00255 2/20 1.00
LMNA P02545 2/20 1.00
HSP90AA1 P07900 2/20 1.00
HSP90AB1 P08238 2/20 1.00
MAPT P10636 2/20 1.00
CASP7 P55210 2/20 1.00
KMT2A Q03164 2/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
FTO Q9C0B1 2/20 1.00
MAPK1 P28482 2/20 1.00
ABCC4 O15439 1/20 1.00
USP2 O75604 1/20 1.00
TP53 P04637 1/20 1.00
CHRM2 P08172 1/20 1.00
HTR1A P08908 1/20 1.00
ADRA2A P08913 1/20 1.00

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
Diacerein SCHEMBL29944894 1.00 TTR (1.00) TTRALDH1A1KDM4EHPGDMEN1
Diacerein SCHEMBL25784 1.00 TTR (1.00) TTRALDH1A1KDM4EHPGDMEN1
Diacerein SCHEMBL29423907 1.00 TTR (1.00) TTRALDH1A1KDM4EHPGDMEN1
Diacerein SCHEMBL7438555 0.99 TTR (0.97) TTRALDH1A1KDM4EHPGDMEN1
Diacerein SCHEMBL5078956 0.99 TTR (0.97) TTRALDH1A1KDM4EHPGDMEN1
Diacerein SCHEMBL787907 0.99 TTR (0.97) TTRALDH1A1KDM4EHPGDMEN1
Diacerein SCHEMBL2326532 0.93 TTR (0.86) TTRALDH1A1KDM4EHPGDMEN1
SCHEMBL23655432 0.92 TTR (0.84) TTRALDH1A1KDM4EHPGDMEN1
Diacerein SCHEMBL5712120 0.92 MEN1 (0.84) TTRALDH1A1KDM4EHPGDMEN1
SCHEMBL16549421 0.90 TTR (0.82) TTRALDH1A1KDM4EHPGDMEN1

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
WO-2012151309-A1 METHODS FOR REGULATING INDUCED PLURIPOTENT STEM CELL GENERATION AND COMPOSITIONS THEREOF SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-11-08 WO disclosed
EP-1931760-A2 MULTI-FUNCTIONAL IONIC LIQUID COMPOSITIONS The University of Alabama (US) 2008-06-18 EP disclosed
WO-2007044693-A2 MULTI-FUNCTIONAL IONIC LIQUID COMPOSITIONS THE UNIVERSITY OF ALABAMA (US) 2007-04-19 WO disclosed