SCHEMBL2232464

SCHEMBL2232464

CCOC(=O)N(CC)OC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
LMNA P02545 3/20 0.50
HSD17B10 Q99714 2/20 0.50
KMT2A Q03164 3/20 0.46
ALOX15 P16050 2/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
TSHR P16473 1/20 0.37
TRPA1 O75762 1/20 0.34
GLO1 Q04760 1/20 0.34
MEN1 O00255 2/20 0.33
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31

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
SCHEMBL8679689 0.79 THRB (0.44) ALDH1A1LMNAHSD17B10KMT2AALOX15
SCHEMBL27468276 0.78 ALDH1A1 (0.38) ALDH1A1LMNAHSD17B10TSHR
SCHEMBL2230421 0.77 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10KMT2AALOX15
SCHEMBL1936374 0.77 HDAC6 (0.39) ALDH1A1LMNAHSD17B10KMT2AGAA
SCHEMBL10614784 0.77 ALDH1A1 (0.56) ALDH1A1LMNAHSD17B10KMT2AALOX15
SCHEMBL11528573 0.76 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10TSHR
SCHEMBL9493220 0.76 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10KMT2AALOX15
SCHEMBL8773032 0.76 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10KMT2AALOX15
SCHEMBL27465345 0.76 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10KMT2ATSHR
SCHEMBL10617663 0.75 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10KMT2AALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130156857-A1 Pharmaceutical Compositions Containing Diacerein TWI BIOTECHNOLOGY, INC. (TW) 2013-06-20 US disclosed
EP-2349289-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING DIACEREIN TWI Biotechnology, Inc. (TW) 2011-08-03 EP disclosed
WO-2010051296-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING DIACEREIN ANCHEN LABORATORIES, INC. (US) 2010-05-06 WO disclosed
US-20100104651-A1 Pharmaceutical Compositions Containing Diacerein TWI BIOTECHNOLOGY, INC. (TW) 2010-04-29 US disclosed
US-20070014858-A1 Method for controlling lag time of in-situ passageway formation in osmotic delivery system EMPAX PHARMA INC. 2007-01-18 US disclosed