SCHEMBL3668650

SCHEMBL3668650

CC(OCCC(=O)O)O[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
BLM P54132 1/20 0.38
HBB P68871 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRB2 P47870 2/20 0.32
GABRA4 P48169 2/20 0.32
GABRE P78334 2/20 0.32
GABRA6 Q16445 2/20 0.32
GABRG1 Q8N1C3 2/20 0.32

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
SCHEMBL14778239 0.75
SCHEMBL9505476 0.73 ALDH1A1 (0.37) ALDH1A1
SCHEMBL28843407 0.72 LMNA (0.52) MEN1LMNAKMT2AGABRPGABRD
SCHEMBL2967255 0.71
SCHEMBL2992341 0.71
SCHEMBL4418153 0.71 LMNA (0.34) LMNAGSRALDH1A1
SCHEMBL261295 0.71
SCHEMBL397367 0.70 LMNA (0.38) MEN1LMNABLMHBBKMT2A
SCHEMBL6231956 0.70 GABRP (0.41) MEN1LMNABLMHBBKMT2A
SCHEMBL396280 0.70 LMNA (0.38) MEN1LMNABLMHBBKMT2A

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 4 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-2010108843-A1 USE OF NITROOXYDERIVATIVE OF PARACETAMOL FOR THE TREATMENT OF MUSCULAR DYSTROPHIES NICOX S.A. (FR) 2010-09-30 WO disclosed