SCHEMBL9835313

SCHEMBL9835313

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
NPSR1 Q6W5P4 2/20 0.50
LMNA P02545 5/20 0.47
GLO1 Q04760 1/20 0.47
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 2/20 0.43
PLIN1 O60240 1/20 0.43
PLIN5 Q00G26 1/20 0.43
ABHD5 Q8WTS1 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GALR2 O43603 1/20 0.43
MITF O75030 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HPGD P15428 1/20 0.43
XBP1 P17861 1/20 0.43
CCR6 P51684 1/20 0.43

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
SCHEMBL18371948 0.85 MAPT (0.60) MAPTNPSR1LMNAGLO1ALDH1A1
SCHEMBL7818630 0.84 GLO1 (0.59) MAPTNPSR1LMNAGLO1ALDH1A1
SCHEMBL14492424 0.82 MAPT (0.55) MAPTNPSR1LMNAGLO1ALDH1A1
SCHEMBL7828149 0.82 MAPT (0.49) MAPTNPSR1LMNAGLO1ALDH1A1
Potassium Ion SCHEMBL7817917 0.81 MAPT (0.48) MAPTNPSR1LMNAGLO1ALDH1A1
SCHEMBL17049220 0.81 MAPT (0.66) MAPTNPSR1LMNAGLO1ALDH1A1
SCHEMBL7817919 0.81 MAPT (0.48) MAPTNPSR1LMNAGLO1ALDH1A1
SCHEMBL9733960 0.81 PTGS2 (0.56) MAPTNPSR1LMNAGLO1ALDH1A1
SCHEMBL1373654 0.80 MAPT (0.71) MAPTNPSR1LMNAGLO1ALDH1A1
SCHEMBL24003040 0.76 MAPT (0.56) MAPTNPSR1LMNAGLO1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0156261-B1 FLUOROGENIC DIHYDROQUINOLONE AND DIHYDROCOUMARIN INDICATORS FOR HYDROGEN PEROXIDE MILES INC. (US) 1991-11-27 EP disclosed
US-4794079-A PEROXIDASE MILES INC. (US) 1988-12-27 US disclosed
US-4558130-A FLUORESCENCE ON OXIDATION BY HYDROGEN PEROXIDE; PEROXIDASE DETERMINATION MILES LABORATORIES, INC. (US) 1985-12-10 US disclosed