SCHEMBL11295495

SCHEMBL11295495

CC(CCCC(=O)O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.56
GAA P10253 2/20 0.56
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
HCAR3 P49019 5/20 0.54
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.48
MAPK1 P28482 4/20 0.48
TDP1 Q9NUW8 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 3/20 0.47
CYP1A2 P05177 1/20 0.46

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
SCHEMBL9140856 0.85 CRHBP (0.60) MAPTGAACRHBPCRHR2HCAR3
SCHEMBL8810869 0.79 HCAR3 (0.68) MAPTGAACRHBPCRHR2HCAR3
SCHEMBL4301793 0.78 MAPT (0.70) MAPTGAAHCAR3ALDH1A1KDM4E
SCHEMBL26496466 0.78 ALDH1A1 (0.69) MAPTGAACRHBPCRHR2HCAR3
SCHEMBL10505373 0.78 ALDH1A1 (0.69) MAPTGAACRHBPCRHR2HCAR3
SCHEMBL8962619 0.78 ALDH1A1 (0.69) MAPTGAACRHBPCRHR2HCAR3
SCHEMBL6132129 0.78 ALDH1A1 (0.69) MAPTGAACRHBPCRHR2HCAR3
SCHEMBL9348638 0.78 ALDH1A1 (0.69) MAPTGAACRHBPCRHR2HCAR3
SCHEMBL9755054 0.77 MAPT (0.65) MAPTGAAHCAR3ALDH1A1KDM4E
SCHEMBL4295085 0.76 MAPT (0.63) MAPTGAAHCAR3ALDH1A1KDM4E

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-4362697-A Homogeneous specific binding assay test device having copolymer enhancing substance MILES LABORATORIES, INC. (US) 1982-12-07 US disclosed