SCHEMBL11025490

SCHEMBL11025490

C=C(C)C(=O)OC(CC)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
GLO1 Q04760 1/20 0.43
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ACP3 P15309 1/20 0.41
MAOB P27338 1/20 0.41
GAA P10253 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ATM Q13315 1/20 0.40

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
SCHEMBL343037 0.87 NPSR1 (0.46) ALDH1A1L3MBTL1KMT2AMEN1HPGD
SCHEMBL29800007 0.87 NPSR1 (0.46) ALDH1A1L3MBTL1KMT2AMEN1HPGD
SCHEMBL11024307 0.87 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1HPGDGLO1
SCHEMBL6905314 0.87 ALDH1A1 (0.49) ALDH1A1L3MBTL1KMT2AMEN1HPGD
SCHEMBL11027473 0.84 MAPT (0.50) ALDH1A1KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL11023520 0.83 ALDH1A1 (0.47) ALDH1A1L3MBTL1KMT2AMEN1HPGD
SCHEMBL11024046 0.82 KMT2A (0.43) ALDH1A1L3MBTL1KMT2AMEN1HPGD
SCHEMBL27514658 0.82 L3MBTL1 (0.46) ALDH1A1L3MBTL1KMT2AMEN1HPGD
SCHEMBL11026171 0.81 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1HPGDHTT
SCHEMBL11028202 0.79 ALDH1A1 (0.48) ALDH1A1L3MBTL1KMT2AHPGDSMN1; SMN2

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