SCHEMBL9733960

SCHEMBL9733960

CCOC(=O)C(=Cc1ccc(N(C)C)cc1[N+](=O)[O-])C(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.56
BACE1 P56817 4/20 0.50
MAPT P10636 5/20 0.47
GLO1 Q04760 1/20 0.47
ACHE P22303 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
BCHE P06276 2/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL7882404 0.89 PTGS2 (0.55) PTGS2BACE1MAPTGLO1ACHE
SCHEMBL18371948 0.85 MAPT (0.60) MAPTGLO1NPSR1KDM4EALDH1A1
SCHEMBL7818630 0.84 GLO1 (0.59) MAPTGLO1NPSR1KDM4EALDH1A1
SCHEMBL7828149 0.82 MAPT (0.49) MAPTGLO1NPSR1KDM4EALDH1A1
SCHEMBL14492424 0.82 MAPT (0.55) MAPTGLO1NPSR1KDM4EALDH1A1
SCHEMBL7817919 0.81 MAPT (0.48) MAPTGLO1NPSR1KDM4EALDH1A1
SCHEMBL17049220 0.81 MAPT (0.66) BACE1MAPTGLO1NPSR1KDM4E
Potassium Ion SCHEMBL7817917 0.81 MAPT (0.48) MAPTGLO1NPSR1KDM4EALDH1A1
SCHEMBL9835313 0.81 MAPT (0.50) MAPTGLO1NPSR1KDM4EALDH1A1
SCHEMBL1373654 0.80 MAPT (0.71) MAPTGLO1ACHENPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5081044-A Detection of hydrogen peroxide with optical indicator chalcogen compounds MILES INC. (US) 1992-01-14 US disclosed
EP-0156261-B1 FLUOROGENIC DIHYDROQUINOLONE AND DIHYDROCOUMARIN INDICATORS FOR HYDROGEN PEROXIDE MILES INC. (US) 1991-11-27 EP disclosed
US-4996332-A On oxidation produce fluorescent signals in analytical systems MILES INC. (US) 1991-02-26 US disclosed
US-4794079-A PEROXIDASE MILES INC. (US) 1988-12-27 US disclosed
US-4778893-A FLUORESCENT; OXIDATION OF CHALCOGENS WITH HYDROGEN PEROXIDE MILES INC. (US) 1988-10-18 US disclosed
EP-0121743-B1 OPTICAL INDICATOR CHALCOGEN COMPOUNDS AND USE MILES LABORATORIES, INC. (US) 1987-09-09 EP disclosed
US-4558130-A FLUORESCENCE ON OXIDATION BY HYDROGEN PEROXIDE; PEROXIDASE DETERMINATION MILES LABORATORIES, INC. (US) 1985-12-10 US disclosed
EP-0156261-A2 Fluorogenic dihydroquinolone and dihydrocoumarin indicators for hydrogen peroxide MILES INC. (US) 1985-10-02 EP disclosed
EP-0121743-A2 Optical indicator chalcogen compounds and use MILES LABORATORIES, INC. (US) 1984-10-17 EP disclosed