SCHEMBL11023116

SCHEMBL11023116

C=C(C)C(=O)OC(CC)c1cc([N+](=O)[O-])c([N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 2/20 0.36
PDK1 Q15118 1/20 0.34
HTT P42858 2/20 0.34
HPGD P15428 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
HCAR3 P49019 2/20 0.32
GALR2 O43603 1/20 0.32
MITF O75030 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
SCHEMBL11026171 0.86 ALDH1A1 (0.42) ALDH1A1LMNATDP1PDK1HTT
SCHEMBL11024307 0.84 ALDH1A1 (0.39) ALDH1A1LMNATDP1HTTHPGD
SCHEMBL11028654 0.83 TDP1 (0.46) ALDH1A1LMNATDP1HTTHPGD
SCHEMBL11024952 0.82 MEN1 (0.34) ALDH1A1LMNATDP1PDK1HTT
SCHEMBL11023151 0.82 ALDH1A1 (0.40) ALDH1A1LMNATDP1PDK1HTT
SCHEMBL11027244 0.81 ALDH1A1 (0.39) ALDH1A1LMNATDP1PDK1HTT
SCHEMBL11025662 0.80 ALDH1A1 (0.55) ALDH1A1LMNATDP1PDK1HTT
SCHEMBL11021342 0.80 ALDH1A1 (0.44) ALDH1A1LMNATDP1PDK1HTT
SCHEMBL11027984 0.79 TDP1 (0.44) ALDH1A1LMNATDP1HTTHPGD
SCHEMBL11029377 0.79 ALDH1A1 (0.43) ALDH1A1LMNATDP1GAAMAPT

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
EP-0067954-B1 ORGANIC PHOTOCONDUCTIVE COMPOSITIONS FOR ELECTROPHOTOGRAPHY KABUSHIKI KAISHA TOSHIBA (JP) 1985-08-28 EP disclosed
EP-0067954-A2 Organic photoconductive compositions for electrophotography KABUSHIKI KAISHA TOSHIBA (JP) 1982-12-29 EP disclosed