SCHEMBL2232094

SCHEMBL2232094

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
HBB P68871 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
PMP22 Q01453 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 1/20 0.33
EGLN1 Q9GZT9 2/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
ALKBH5 Q6P6C2 1/20 0.32
SUCNR1 Q9BXA5 1/20 0.32
MAPK1 P28482 1/20 0.31
SLC13A3 Q8WWT9 1/20 0.31
OR51E2 Q9H255 1/20 0.31
ESR2 Q92731 2/20 0.31
TSHR P16473 1/20 0.31
CA12 O43570 1/20 0.30

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
SCHEMBL397067 1.00 BLM (0.41) BLMLMNAMEN1HBBKMT2A
SCHEMBL4736289 0.88 TSHR (0.44) BLMLMNAMEN1HBBKMT2A
SCHEMBL457977 0.87
Methane SCHEMBL2013838 0.85 LMNA (0.46) BLMLMNAMEN1HBBKMT2A
SCHEMBL4735665 0.83 BLM (0.33) BLMLMNAMEN1HBBKMT2A
Ethane SCHEMBL2012063 0.83 LMNA (0.44) BLMLMNAMEN1HBBKMT2A
SCHEMBL439675 0.82 ALDH1A1 (0.46) ALDH1A1PTGS1PTGS2CA12CA1
SCHEMBL11792981 0.82 ALDH1A1 (0.46) ALDH1A1PTGS1PTGS2CA12CA1
SCHEMBL437092 0.82 ALDH1A1 (0.46) ALDH1A1PTGS1PTGS2CA12CA1
SCHEMBL28277555 0.82 ALDH1A1 (0.46) ALDH1A1PTGS1PTGS2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010108843-A1 USE OF NITROOXYDERIVATIVE OF PARACETAMOL FOR THE TREATMENT OF MUSCULAR DYSTROPHIES NICOX S.A. (FR) 2010-09-30 WO claimed
EP-2229161-A2 COMPOSITION COMPRISING A NITROOXYDERIVATIVE OF ACETAMINOPHEN AND A ANTICONVULSANT DRUG FOR THE TREATMENT OF NEUROPATHIC PAIN Nicox S.A. (FR) 2010-09-22 EP claimed
WO-2009087005-A2 COMPOSITION COMPRISING A NITROOXYDERIVATIVE OF ACETAMINOPHEN AND A ANTICONVULSANT DRUG FOR THE TREATMENT OF NEUROPATHIC PAIN NICOX S.A. (FR) 2009-07-16 WO claimed
WO-2011101245-A1 NITRIC OXIDE RELEASING COMPOUNDS FOR THE TREATMENT OF NEUROPATHIC PAIN NICOX S.A. (FR) 2011-08-25 WO disclosed
WO-2011092065-A1 NITRIC OXIDE RELEASING COMPOUNDS FOR THE TREATMENT OF NEUROPHATIC PAIN NICOX S.A. (FR) 2011-08-04 WO disclosed
WO-2010108843-A1 USE OF NITROOXYDERIVATIVE OF PARACETAMOL FOR THE TREATMENT OF MUSCULAR DYSTROPHIES NICOX S.A. (FR) 2010-09-30 WO disclosed