SCHEMBL8437481

SCHEMBL8437481

CCOP(=O)(OCC)OCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
HTT P42858 1/20 0.48
TSHR P16473 2/20 0.47
MAOB P27338 1/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
ACHE P22303 2/20 0.47
BCHE P06276 1/20 0.47
HPGD P15428 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
LMNA P02545 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL2232563 0.92 ALDH1A1 (0.55) ALDH1A1HTTTSHRMAOBACHE
SCHEMBL11744417 0.85 ALDH1A1 (0.46) ALDH1A1HTTTSHRMAOBCA1
SCHEMBL27770642 0.83 ALDH1A1 (0.49) ALDH1A1HTTTSHRMAOBACHE
SCHEMBL14366321 0.81 ALDH1A1 (0.47) ALDH1A1HTTTSHRMAOBACHE
SCHEMBL642548 0.80 ALDH1A1 (0.49) ALDH1A1HTTTSHRMAOBCA1
SCHEMBL2232567 0.80 ALDH1A1 (0.51) ALDH1A1HTTTSHRMAOBHPGD
SCHEMBL2313784 0.80 ALDH1A1 (0.51) ALDH1A1HTTTSHRMAOBHPGD
SCHEMBL2232577 0.80 ALDH1A1 (0.51) ALDH1A1HTTTSHRMAOBHPGD
SCHEMBL12086376 0.79 ALDH1A1 (0.55) ALDH1A1HTTTSHRMAOBACHE
SCHEMBL3182861 0.77 CA1 (0.55) ALDH1A1HTTCA1CA2ACHE

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0757293-B1 Electrophotographic photosensitive member CANON KK (JP) 1999-12-22 EP disclosed
US-5677095-A CONTAINS A THIOPHENE-BASED CHARGE TRANSPORT SUBSTANCE HAVING AT LEAST ONE NITRO SUBSTITUENT CANON KABUSHIKI KAISHA (JP) 1997-10-14 US disclosed
EP-0760492-A1 Electrophotographic photosensitive member CANON KABUSHIKI KAISHA (JP) 1997-03-05 EP disclosed
EP-0757292-A1 Electrophotographic photosensitive member CANON KABUSHIKI KAISHA (JP) 1997-02-05 EP disclosed
EP-0757293-A1 Electrophotographic photosensitive member CANON KABUSHIKI KAISHA (JP) 1997-02-05 EP disclosed
EP-0752624-A2 Electrophotographic photosensitive member CANON KABUSHIKI KAISHA (JP) 1997-01-08 EP disclosed
US-5484673-A CHARGE TRANSPORT LAYER CANON KABUSHIKI KAISHA (JP) 1996-01-16 US disclosed
EP-0466094-A2 Electrophotographic photosensitive member CANON KABUSHIKI KAISHA (JP) 1992-01-15 EP disclosed