SCHEMBL11024307

SCHEMBL11024307

C=C(C)C(=O)OC(CC)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 2/20 0.35
CYP3A4 P08684 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
GRM8 O00222 1/20 0.34
GRM4 Q14833 1/20 0.34
CYP19A1 P11511 1/20 0.33
ALOX5 P09917 1/20 0.33
GLO1 Q04760 1/20 0.33

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
SCHEMBL11025490 0.87 ALDH1A1 (0.43) ALDH1A1LMNAMEN1KMT2ACYP3A4
SCHEMBL11027473 0.86 MAPT (0.50) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL11023116 0.84 ALDH1A1 (0.43) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL11027984 0.84 TDP1 (0.44) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL11027636 0.81 KMT2A (0.40) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL11031648 0.81 TDP1 (0.40) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL11026171 0.80 ALDH1A1 (0.42) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL11028654 0.80 TDP1 (0.46) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL11028202 0.78 ALDH1A1 (0.48) ALDH1A1LMNAMAPTKMT2ATDP1
SCHEMBL11286843 0.78 ALDH1A1 (0.48) ALDH1A1LMNAMAPTMEN1KMT2A

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