SCHEMBL11029168

SCHEMBL11029168

C=CC(=O)OC(CC)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
LMNA P02545 3/20 0.46
TDP1 Q9NUW8 6/20 0.44
POLB P06746 2/20 0.44
CYP1A2 P05177 1/20 0.40
GRM8 O00222 1/20 0.39
GRM4 Q14833 1/20 0.39
MAPK1 P28482 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
GPR35 Q9HC97 1/20 0.39
MAPT P10636 6/20 0.39
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL11025901 0.90 ALDH1A1 (0.46) ALDH1A1LMNATDP1POLBCYP1A2
SCHEMBL11023294 0.85 LMNA (0.52) ALDH1A1LMNATDP1POLBMAPK1
SCHEMBL11021380 0.84 TDP1 (0.48) ALDH1A1LMNATDP1POLBCYP1A2
SCHEMBL11025089 0.84 ALDH1A1 (0.45) ALDH1A1TDP1POLBCYP1A2GRM8
SCHEMBL11025932 0.84 ALDH1A1 (0.48) ALDH1A1LMNATDP1POLBCYP1A2
SCHEMBL11023283 0.84 TDP1 (0.46) ALDH1A1LMNATDP1POLBCYP1A2
SCHEMBL11028202 0.83 ALDH1A1 (0.48) ALDH1A1LMNATDP1POLBCYP1A2
SCHEMBL11029704 0.81 ALDH1A1 (0.41) ALDH1A1LMNATDP1SMN1; SMN2HPGD
SCHEMBL11026695 0.81 MAPT (0.43) ALDH1A1LMNAPOLBMAPK1HPGD
SCHEMBL10948685 0.81 TDP1 (0.46) ALDH1A1LMNATDP1POLBCYP1A2

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