SCHEMBL2233288

SCHEMBL2233288

CC(OC(=O)CCOCCO[N+](=O)[O-])OC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.46
CTNNB1 P35222 1/20 0.46
HTR2A P28223 1/20 0.44
GAA P10253 1/20 0.40
MAPT P10636 3/20 0.38
MGLL Q99685 2/20 0.37
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PTPN7 P35236 1/20 0.36
PTPN12 Q05209 1/20 0.36
PTPN22 Q9Y2R2 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
ACHE P22303 1/20 0.35
SLC6A4 P31645 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL2236767 0.90 HTR2A (0.45) BCL9CTNNB1HTR2AGAAMAPT
SCHEMBL2235180 0.89 BCL9 (0.48) BCL9CTNNB1HTR2AGAAMAPT
SCHEMBL12426959 0.87 BCL9 (0.44) BCL9CTNNB1HTR2AGAAMAPT
SCHEMBL2236108 0.87 BCL9 (0.46) BCL9CTNNB1HTR2AGAAMAPT
SCHEMBL2234610 0.83 BCL9 (0.68) BCL9CTNNB1HTR2AGAAMAPT
SCHEMBL22364373 0.81 HTR2A (0.45) BCL9CTNNB1HTR2AGAAMAPT
SCHEMBL22364451 0.80 HTR2A (0.46) BCL9CTNNB1HTR2AGAAMAPT
SCHEMBL2235137 0.80 BCL9 (0.56) BCL9CTNNB1HTR2AGAAMAPT
SCHEMBL6447049 0.80 BCL9 (0.53) BCL9CTNNB1HTR2AGAAMAPT
SCHEMBL12348677 0.79 BCL9 (0.43) BCL9CTNNB1HTR2AGAAMAPT

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
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