SCHEMBL8070751

SCHEMBL8070751

CC(CO)Cc1c(C(N)=O)ccc(C(N)=O)c1CC(C)CO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
IRAK4 Q9NWZ3 2/20 0.37
NNMT P40261 1/20 0.36
HTT P42858 1/20 0.36
DGAT1 O75907 1/20 0.35
EPHX1 P07099 1/20 0.33
BCAT2 O15382 1/20 0.33
PLA2G10 O15496 3/20 0.33
PLA2G2A P14555 3/20 0.33
PLA2G1B P04054 1/20 0.33
PLA2G5 P39877 1/20 0.33
PLA2G2C Q5R387 1/20 0.33
PLA2G12B Q9BX93 1/20 0.33
PLA2G12A Q9BZM1 1/20 0.33
PLA2G2F Q9BZM2 1/20 0.33
PLA2G3 Q9NZ20 1/20 0.33
PLA2G2E Q9NZK7 1/20 0.33
PLA2G2D Q9UNK4 1/20 0.33
KAT2B Q92831 1/20 0.33

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
SCHEMBL6575369 0.82 ACE2 (0.41) KAT2BTRPA1KDM4EALDH1A1MAPT
SCHEMBL27389604 0.74 IRAK4 (0.42) IRAK4HTTKDM4EALDH1A1MAPT
SCHEMBL5316536 0.72 BCAT2 (0.41) POLBL3MBTL1NNMTDGAT1BCAT2
SCHEMBL1018547 0.70 PARP1 (0.42) NNMTDGAT1KDM4EALDH1A1MAPT
SCHEMBL6574116 0.69 ACE2 (0.35) HTTTRPA1ALDH1A1HPGDKMT2A
SCHEMBL29421066 0.69 SIRT1 (0.39) NNMTDGAT1BCAT2KDM4EALDH1A1
SCHEMBL7109139 0.69 SIRT1 (0.39) NNMTDGAT1BCAT2KDM4EALDH1A1
SCHEMBL25938990 0.68 MAPK8 (0.43) POLBL3MBTL1IRAK4HTTEPHX1
SCHEMBL4961910 0.68 SCN9A (0.42) IRAK4HTTBCAT2KDM4EALDH1A1
SCHEMBL28273750 0.67 ALDH1A1 (0.41) NNMTHTTDGAT1KDM4EALDH1A1

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-6090516-A Polyester toner composition for electrophotographic imaging systems HOECHST CELANESE CORPORATION (US) 2000-07-18 US claimed
US-5843609-A Polyester toner microspheres for electrophotographic imaging systems HOECHST CELANESE CORP. (US) 1998-12-01 US claimed
US-6090973-A Polyester toner composition for electrophotographic imaging systems HOECHST CELANESE CORPORATION (US) 2000-07-18 US disclosed
US-6090516-A Polyester toner composition for electrophotographic imaging systems HOECHST CELANESE CORPORATION (US) 2000-07-18 US disclosed
US-6001980-A Polyester toner composition for electrophotographic imaging systems HOECHST CELANESE CORPORATION (US) 1999-12-14 US disclosed