SCHEMBL11028202

SCHEMBL11028202

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
LMNA P02545 3/20 0.48
TDP1 Q9NUW8 6/20 0.41
MAPT P10636 7/20 0.41
MAPK1 P28482 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 2/20 0.40
CYP1A2 P05177 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KMT2A Q03164 1/20 0.40
GRM8 O00222 1/20 0.39
GRM4 Q14833 1/20 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
POLB P06746 1/20 0.39
KDM4E B2RXH2 2/20 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
SCHEMBL11286843 0.90 ALDH1A1 (0.48) ALDH1A1LMNATDP1MAPTMAPK1
SCHEMBL11025662 0.85 ALDH1A1 (0.55) ALDH1A1LMNATDP1MAPTMAPK1
SCHEMBL11028654 0.84 TDP1 (0.46) ALDH1A1LMNATDP1MAPTMAPK1
SCHEMBL11025538 0.84 ALDH1A1 (0.48) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL11026161 0.84 ALDH1A1 (0.45) ALDH1A1TDP1MAPTMAPK1SMN1; SMN2
SCHEMBL11027984 0.84 TDP1 (0.44) ALDH1A1LMNATDP1MAPTMAPK1
SCHEMBL11029168 0.83 ALDH1A1 (0.46) ALDH1A1LMNATDP1MAPTMAPK1
SCHEMBL11021342 0.81 ALDH1A1 (0.44) ALDH1A1LMNATDP1MAPTSMN1; SMN2
SCHEMBL11027473 0.81 MAPT (0.50) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL10948685 0.81 TDP1 (0.46) ALDH1A1LMNATDP1MAPTMAPK1

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