SCHEMBL11025932

SCHEMBL11025932

C=CC(=O)OC(CC)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
CYP1A2 P05177 2/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 4/20 0.38
NPC1 O15118 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
STAT3 P40763 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
SCHEMBL11027007 0.89 ALDH1A1 (0.40) ALDH1A1CYP1A2TSHRLMNAMEN1
SCHEMBL11027978 0.85 SMN1; SMN2 (0.40) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL11029168 0.84 ALDH1A1 (0.46) ALDH1A1CYP1A2TSHRLMNAKMT2A
SCHEMBL11025901 0.84 ALDH1A1 (0.46) ALDH1A1CYP1A2LMNASMN1; SMN2POLB
SCHEMBL8067996 0.83 ALDH1A1 (0.59) ALDH1A1CYP1A2TSHRLMNAMEN1
SCHEMBL11023294 0.83 LMNA (0.52) ALDH1A1LMNAMEN1KMT2ARAB9A
SCHEMBL28398494 0.82 ALDH1A1 (0.51) ALDH1A1CYP1A2TSHRLMNAMEN1
SCHEMBL10530013 0.82 ALDH1A1 (0.51) ALDH1A1CYP1A2TSHRMEN1KMT2A
SCHEMBL11029704 0.82 ALDH1A1 (0.41) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL11025538 0.82 ALDH1A1 (0.48) ALDH1A1CYP1A2TSHRLMNAMEN1

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