SCHEMBL8960340

SCHEMBL8960340

CCCCOC(=O)COc1cc(F)c(-n2cnc(C(F)(F)F)c(C)c2=O)cc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 1/20 0.35
ALDH1A1 P00352 5/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 5/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
PPOX P50336 1/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GPR174 Q9BXC1 1/20 0.33
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
NTSR1 P30989 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL8960096 0.91 PLA2G4B (0.35) PLA2G4BALDH1A1TDP1L3MBTL1MAPT
SCHEMBL8960070 0.84 MAPT (0.40) ALDH1A1TDP1MAPTCYP1A2CYP2C9
SCHEMBL10362122 0.79 PPOX (0.41) PLA2G4BALDH1A1TDP1L3MBTL1MAPT
SCHEMBL7819100 0.78 PLA2G4B (0.36) PLA2G4BALDH1A1TDP1L3MBTL1MAPT
SCHEMBL8960266 0.77 ALDH1A1 (0.37) ALDH1A1TDP1MAPTCYP1A2CYP2C9
SCHEMBL31325255 0.77 ALDH1A1 (0.49) PLA2G4BALDH1A1TDP1L3MBTL1MAPT
SCHEMBL8757174 0.77 ALDH1A1 (0.49) PLA2G4BALDH1A1TDP1L3MBTL1MAPT
SCHEMBL8186024 0.76 PLA2G4B (0.36) PLA2G4BALDH1A1TDP1L3MBTL1MAPT
SCHEMBL10362441 0.75 ALDH1A1 (0.41) PLA2G4BALDH1A1TDP1L3MBTL1MAPT
SCHEMBL27821510 0.74 PLA2G4B (0.50) PLA2G4BALDH1A1TDP1L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5532208-A HERBICIDES SUMITOMO CHEMICAL CO., LTD. (JP) 1996-07-02 US disclosed
US-5366955-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-11-22 US disclosed