SCHEMBL7717261

SCHEMBL7717261

O=C(OOC(=O)c1ccc([N+](=O)[O-])cc1/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 4/20 0.53
MAOB P27338 2/20 0.52
BCHE P06276 1/20 0.52
PTGS2 P35354 3/20 0.47
PTGS1 P23219 2/20 0.47
CYP19A1 P11511 1/20 0.47
CYP1B1 Q16678 1/20 0.46
CES2 O00748 2/20 0.45
NFE2L2 Q16236 1/20 0.45
PTPN1 P18031 1/20 0.44
PTPN12 Q05209 1/20 0.44
PTPN22 Q9Y2R2 1/20 0.44
CES1 P23141 1/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
TLR9 Q9NR96 1/20 0.42
ALOX5 P09917 1/20 0.42

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
SCHEMBL7717263 1.00 SNCA (0.53) SNCAMAOBBCHEPTGS2PTGS1
SCHEMBL7655057 0.90 SNCA (0.58) SNCAMAOBBCHEPTGS2PTGS1
SCHEMBL7655066 0.90 SNCA (0.58) SNCAMAOBBCHEPTGS2PTGS1
SCHEMBL7649962 0.82 SNCA (0.60) SNCAMAOBCYP19A1NFE2L2MAPT
SCHEMBL7649969 0.82 SNCA (0.60) SNCAMAOBCYP19A1NFE2L2MAPT
SCHEMBL7720995 0.81 CRHBP (0.43) SNCAMAOBBCHEPTGS2PTGS1
SCHEMBL7782212 0.79 NFE2L2 (0.58) SNCAMAOBBCHECYP19A1CYP1B1
SCHEMBL7782216 0.79 NFE2L2 (0.58) SNCAMAOBBCHECYP19A1CYP1B1
SCHEMBL7782242 0.79 SMN1; SMN2 (0.54) PTGS2NFE2L2MAPTMEN1ALDH1A1
SCHEMBL7782246 0.79 SMN1; SMN2 (0.54) PTGS2NFE2L2MAPTMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6383500-B1 Particles comprising amphiphilic copolymers, having a crosslinked shell domain and an interior core domain, useful for pharmaceutical and other applications WASHINGTON UNIVERSITY 2002-05-07 US disclosed