SCHEMBL11025901

SCHEMBL11025901

C=CC(=O)OC(CC)c1cc([N+](=O)[O-])ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 5/20 0.44
POLB P06746 2/20 0.41
GPR35 Q9HC97 1/20 0.39
MAPT P10636 5/20 0.37
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 1/20 0.37
PTGS2 P35354 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 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
SCHEMBL11029168 0.90 ALDH1A1 (0.46) ALDH1A1LMNATDP1POLBGPR35
SCHEMBL11023294 0.85 LMNA (0.52) ALDH1A1LMNATDP1POLBMAPT
SCHEMBL11021380 0.84 TDP1 (0.48) ALDH1A1LMNATDP1POLBGPR35
SCHEMBL11025932 0.84 ALDH1A1 (0.48) ALDH1A1LMNATDP1POLBMAPT
SCHEMBL11026499 0.84 ALDH1A1 (0.42) ALDH1A1LMNATDP1POLBGPR35
SCHEMBL11286843 0.83 ALDH1A1 (0.48) ALDH1A1LMNATDP1POLBGPR35
SCHEMBL11029704 0.81 ALDH1A1 (0.41) ALDH1A1LMNATDP1GPR35MAPT
SCHEMBL11023283 0.81 TDP1 (0.46) ALDH1A1LMNATDP1POLBGPR35
SCHEMBL11026695 0.81 MAPT (0.43) ALDH1A1LMNAPOLBMAPTMAPK1
SCHEMBL11023688 0.80 ALDH1A1 (0.39) ALDH1A1LMNATDP1POLBMAPT

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