SCHEMBL8540787

SCHEMBL8540787

O=C1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.63
RXFP1 Q9HBX9 1/20 0.61
LMNA P02545 3/20 0.56
HTT P42858 2/20 0.56
KDM4E B2RXH2 1/20 0.55
SLC6A2 P23975 1/20 0.52
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
SLC6A3 Q01959 1/20 0.52
CES2 O00748 1/20 0.51
CES1 P23141 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
TP53 P04637 1/20 0.50
CRBN Q96SW2 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL8538546 0.99 KMT2A (0.61) KMT2ARXFP1LMNAHTTKDM4E
SCHEMBL8544026 0.86 L3MBTL1 (0.51) KMT2ARXFP1LMNAHTTKDM4E
SCHEMBL8538617 0.85 SMN1; SMN2 (0.50) KMT2ARXFP1LMNAHTTKDM4E
SCHEMBL9335604 0.84 SMN1; SMN2 (0.57) KMT2AKDM4EALDH1A1
SCHEMBL8538882 0.83 SMN1; SMN2 (0.58) KMT2ALMNAHTTKDM4ECES1
SCHEMBL5182442 0.83 MITF (0.60) KMT2ALMNAKDM4EALDH1A1
SCHEMBL1824654 0.83 MITF (0.60) KMT2ALMNAKDM4EALDH1A1
SCHEMBL8545715 0.82 SMN1; SMN2 (0.60) KMT2ALMNAHTTKDM4ECA12
SCHEMBL1879807 0.80 RXFP1 (0.91) KMT2ARXFP1LMNAHTTKDM4E
SCHEMBL1823033 0.80 KMT2A (0.58) KMT2ALMNAKDM4EALDH1A1

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
US-5753138-A COMPRISING SPECIFIED BLEACH ACTIVATOR PRODUCING PERACID ON HYDROLYSIS, HYDROGEN PEROXIDE SOURCE THE PROCTER & GAMBLE COMPANY (US) 1998-05-19 US disclosed
EP-0792345-A1 BLEACHING COMPOSITIONS AND BLEACH-ADDITIVES COMPRISING BLEACH ACTIVATORS EFFECTIVE AT LOW PERHYDROXYL CONCENTRATIONS THE PROCTER & GAMBLE COMPANY (US) 1997-09-03 EP disclosed
EP-0792344-A1 BLEACHING DETERGENT COMPOSITIONS COMPRISING BLEACH ACTIVATORS EFFECTIVE AT LOW PERHYDROXYL CONCENTRATIONS THE PROCTER & GAMBLE COMPANY (US) 1997-09-03 EP disclosed
EP-0792343-A1 USE OF BLEACH ACTIVATORS FOR LOW PERHYDROXYL CONCENTRATIONS THE PROCTER & GAMBLE COMPANY (US) 1997-09-03 EP disclosed
US-5635104-A Bleaching solutions and method utilizing selected bleach activators effective at low perhydroxyl concentrations THE PROCTER & GAMBLE COMPANY (US) 1997-06-03 US disclosed
WO-1996016157-A1 BLEACHING DETERGENT COMPOSITIONS COMPRISING BLEACH ACTIVATORS EFFECTIVE AT LOW PERHYDROXYL CONCENTRATIONS THE PROCTER & GAMBLE COMPANY (US) 1996-05-30 WO disclosed
WO-1996016155-A1 BLEACHING COMPOSITIONS AND BLEACH-ADDITIVES COMPRISING BLEACH ACTIVATORS EFFECTIVE AT LOW PERHYDROXYL CONCENTRATIONS THE PROCTER & GAMBLE COMPANY (US) 1996-05-30 WO disclosed
WO-1996016156-A1 USE OF BLEACH ACTIVATORS FOR LOW PERHYDROXYL CONCENTRATIONS THE PROCTER & GAMBLE COMPANY (US) 1996-05-30 WO disclosed