SCHEMBL11266950

SCHEMBL11266950

CCOC(=O)COc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.69
POLB P06746 3/20 0.69
MAPK1 P28482 2/20 0.69
TDP1 Q9NUW8 2/20 0.69
NPSR1 Q6W5P4 3/20 0.60
GAA P10253 1/20 0.60
HTT P42858 1/20 0.60
KDM4E B2RXH2 1/20 0.59
HPGD P15428 2/20 0.55
KMT2A Q03164 3/20 0.47
LMNA P02545 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
ALDH1A1 P00352 1/20 0.47
NTSR1 P30989 1/20 0.47
PTGS2 P35354 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PTPN7 P35236 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
SCHEMBL11257672 0.88 MAPT (0.54) MAPTPOLBMAPK1TDP1NPSR1
SCHEMBL11264549 0.85 PTGS2 (0.59) MAPTPOLBMAPK1TDP1NPSR1
SCHEMBL11421535 0.83 MAPT (0.65) MAPTPOLBMAPK1TDP1NPSR1
SCHEMBL11421528 0.81 MAPT (0.52) MAPTPOLBMAPK1TDP1NPSR1
SCHEMBL656776 0.81 PTGS2 (0.66) MAPTPOLBNPSR1GAAHTT
SCHEMBL11266959 0.80 MAPT (0.65) MAPTPOLBMAPK1TDP1NPSR1
SCHEMBL11264402 0.80 MAPK1 (0.85) MAPTPOLBMAPK1TDP1NPSR1
SCHEMBL5174292 0.77 MAPT (0.78) MAPTPOLBMAPK1TDP1NPSR1
SCHEMBL9188865 0.77 PTGS2 (0.61) MAPTNPSR1GAAHTTKDM4E
SCHEMBL5066833 0.77 HPGD (0.54) MAPTPOLBMAPK1NPSR1GAA

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-4323691-A Hydroxyaminomethyl derivatives of benzoyl di-substituted α-phenoxyalkanoyl esters ABBOTT LABORATORIES (US) 1982-04-06 US disclosed