SCHEMBL11028205

SCHEMBL11028205

C=C(C)C(=O)OCCCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.63
TDP1 Q9NUW8 5/20 0.63
CYP1A2 P05177 1/20 0.53
MAPT P10636 9/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 5/20 0.41
GAA P10253 3/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
TSHR P16473 3/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
GPR35 Q9HC97 1/20 0.40
POLB P06746 2/20 0.40
HTT P42858 2/20 0.40
APEX1 P27695 1/20 0.40
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL11286846 0.93 ALDH1A1 (0.54) ALDH1A1TDP1CYP1A2MAPTKDM4E
SCHEMBL11026162 0.92 ALDH1A1 (0.56) ALDH1A1TDP1CYP1A2MAPTKDM4E
SCHEMBL11025667 0.87 ALDH1A1 (0.46) ALDH1A1TDP1CYP1A2MAPTKDM4E
SCHEMBL11023061 0.86 CYP1A2 (0.54) ALDH1A1TDP1CYP1A2MAPTKDM4E
SCHEMBL11028657 0.85 ALDH1A1 (0.46) ALDH1A1TDP1CYP1A2MAPTKDM4E
SCHEMBL11023135 0.85 ALDH1A1 (0.47) ALDH1A1TDP1CYP1A2MAPTKDM4E
SCHEMBL11027986 0.85 ALDH1A1 (0.44) ALDH1A1TDP1CYP1A2MAPTKDM4E
SCHEMBL11025540 0.83 MAOB (0.46) ALDH1A1TDP1SMN1; SMN2TSHRPOLB
SCHEMBL11021344 0.82 TDP1 (0.43) ALDH1A1TDP1CYP1A2MAPTSMN1; SMN2
SCHEMBL11027474 0.82 KCNH2 (0.50) TDP1MAPTTSHRPOLBHTT

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