SCHEMBL8783129

SCHEMBL8783129

CCOC(=O)C(C)(C)NCC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.43
KDM4E B2RXH2 1/20 0.43
THRB P10828 1/20 0.42
HTT P42858 1/20 0.41
MMP8 P22894 2/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 2/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
CYP4F2 P78329 3/20 0.38
CYP4A11 Q02928 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PIN1 Q13526 1/20 0.36

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
SCHEMBL7437430 0.84 GAA (0.48) PKMKDM4ETHRBMMP8ALDH1A1
SCHEMBL18430092 0.81 PKM (0.43) PKMKDM4ETHRBHTTMMP8
SCHEMBL14902199 0.74 PKM (0.46) PKMKDM4ETHRBHTTMMP8
SCHEMBL28071202 0.74 PKM (0.39) PKMKDM4ETHRBHTTMMP8
SCHEMBL2896418 0.74 GAA (0.46) PKMKDM4EMMP8ALDH1A1GAA
SCHEMBL4763665 0.74 PKM (0.44) PKMKDM4ETHRBHTTMMP8
Hydrochloric Acid SCHEMBL16667998 0.73 PKM (0.38) PKMKDM4ETHRBHTTMMP8
SCHEMBL6278446 0.73 CYP4F2 (0.40) PKMKDM4ETHRBHTTMMP8
SCHEMBL12654680 0.72 PKM (0.43) PKMKDM4ETHRBHTTMMP8
SCHEMBL10154087 0.72 PKM (0.43) PKMKDM4ETHRBHTTMMP8

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-0557691-B1 4-Methyl-3-phenyl-2-oxo-3-pyrroline derivatives, process for their preparation and herbicidal compositions KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-09-10 EP disclosed
US-5312929-A 2-oxo-3-pyrroline derivatives, process for their production and herbicidal composition KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1994-05-17 US disclosed
EP-0557691-A1 4-Methyl-3-phenyl-2-oxo-3-pyrroline derivatives, process for their preparation and herbicidal compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1993-09-01 EP disclosed