SCHEMBL6583789

SCHEMBL6583789

CCOc1cc(CCC2OC(=O)NC2=O)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.46
PIM1 P11309 2/20 0.42
PIM3 Q86V86 2/20 0.42
PIM2 Q9P1W9 2/20 0.42
DYRK1A Q13627 1/20 0.42
DYRK2 Q92630 1/20 0.42
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 3/20 0.40
PPARG P37231 1/20 0.40
KDM4E B2RXH2 3/20 0.39
TSHR P16473 2/20 0.39
SIRT1 Q96EB6 2/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
GSK3B P49841 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GUSB P08236 1/20 0.37

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
SCHEMBL8889108 0.93 PPARG (0.46) GAAPIM1PIM3PIM2DYRK1A
SCHEMBL6583808 0.88 TAAR1 (0.50) GAAALDH1A1PPARGTSHRTDP1
SCHEMBL6583684 0.81 SIRT2 (0.47) GAAALDH1A1SMN1; SMN2MAPTPPARG
SCHEMBL6583021 0.81 PPARG (0.51) GAAALDH1A1PPARGTSHRTDP1
SCHEMBL6584133 0.81 TSHR (0.49) GAAALDH1A1PPARGTSHRKMT2A
SCHEMBL6584822 0.80 PPARG (0.49) GAAALDH1A1PPARGTSHRTDP1
SCHEMBL6583798 0.76 GAA (0.44) GAAPIM1PIM3PIM2DYRK1A
SCHEMBL8175426 0.75 SHBG (0.52) GAAALDH1A1MAPTTSHRKMT2A
SCHEMBL8890406 0.75 CA3 (0.42) ALDH1A1SMN1; SMN2KDM4EKMT2ATDP1
SCHEMBL8889627 0.74 PPARG (0.50) GAAALDH1A1SMN1; SMN2MAPTPPARG

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
EP-0710659-B1 Oxazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-01-28 EP disclosed
WO-1997000249-A1 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-03 WO disclosed
EP-0710659-A1 Oxazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-08 EP disclosed