SCHEMBL11025540

SCHEMBL11025540

C=C(C)C(=O)OCCCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 4/20 0.43
TSHR P16473 3/20 0.43
PTPN1 P18031 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
POLB P06746 2/20 0.42
CYP2C19 P33261 2/20 0.42
HTT P42858 2/20 0.42
APEX1 P27695 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL9404693 0.92 MAOB (0.48) MAOBMEN1KMT2ARAB9ANPC1
SCHEMBL11029380 0.90 MAOB (0.40) MAOBMEN1KMT2ARAB9ANPC1
SCHEMBL11026108 0.86 TDP1 (0.42) SMN1; SMN2ALDH1A1TSHRL3MBTL1TDP1
SCHEMBL8068000 0.86 MAOB (0.50) MAOBMEN1KMT2ARAB9ANPC1
SCHEMBL11286846 0.86 ALDH1A1 (0.54) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL13627799 0.86 MAOB (0.49) MAOBMEN1KMT2ARAB9ANPC1
SCHEMBL11025667 0.85 ALDH1A1 (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL719824 0.85 MAOB (0.56) MAOBMEN1KMT2ARAB9ANPC1
SCHEMBL8964981 0.83 MAOB (0.45) MAOBMEN1KMT2ARAB9ANPC1
SCHEMBL11028205 0.83 ALDH1A1 (0.63) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR

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