SCHEMBL8489229

SCHEMBL8489229

CCOC(=O)C(C(=O)OCC)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPD P32754 3/20 0.69
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PKM P14618 1/20 0.46
FLT1 P17948 1/20 0.45
FLT4 P35916 1/20 0.45
KDR P35968 1/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 2/20 0.43
STAT3 P40763 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
THRB P10828 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
SCHEMBL8492075 0.82 HPD (0.57) HPDMEN1KMT2APKMFLT1
SCHEMBL8492734 0.82 HPD (0.54) HPDMEN1KMT2APKMFLT1
SCHEMBL8491557 0.82 HPD (0.74) HPDMEN1KMT2APKMFLT1
SCHEMBL8491194 0.82 HPD (0.83) HPDMEN1KMT2APKMFLT1
SCHEMBL8492155 0.82 HPD (0.67) HPDMEN1KMT2APKMFLT1
SCHEMBL13312378 0.81 HPD (0.46) HPDMEN1KMT2APKMMAPT
SCHEMBL8139201 0.81 HPGD (0.53) HPDFLT1FLT4KDRMAPT
SCHEMBL27299144 0.81 HPD (0.54) HPDMEN1KMT2APKMFLT1
SCHEMBL22065390 0.80 HPD (0.65) HPDMEN1KMT2APKMFLT1
SCHEMBL8494415 0.80 HPD (0.62) HPDMEN1KMT2APKMFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1066439-C Method for prepn. of isoxazoles herbicides RHONE POULENC AGROCHIMIE (GB) 2001-05-30 CN disclosed
US-5859283-A TERTIARY-BUTYL 3-CYCLOALKYL-3-OXOPROPIONATE RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-12 US disclosed
US-5747424-A HEATING AN AROMATIC DIKETONE WITH A SALT OF HYDROXYLAMINE IN A SOLVENT RHONE-POULENC AGRICULTURE LTD. (GB) 1998-05-05 US disclosed
CN-1037058-C Herbicide composition and use thereof RHONE POULENC AGRICULTURE (GB) 1998-01-21 CN disclosed
US-5656573-A Herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-12 US disclosed
US-5650533-A Intermediates to herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-22 US disclosed
EP-0487357-B1 4 Benzoyl isoxazole derivatives RHONE POULENC AGRICULTURE (GB) 1997-07-02 EP disclosed
CN-1141294-A Method for prepn. of isoxazoles herbicides RHONE POULENC AGRICULTURE (GB) 1997-01-29 CN disclosed
EP-0418175-B1 Isoxazoles herbicides RHONE POULENC AGRICULTURE (GB) 1996-07-17 EP disclosed
EP-0487357-A1 4 Benzoyl isoxazole derivatives RHONE-POULENC AGRICULTURE LTD. (GB) 1992-05-27 EP disclosed
CN-1050188-A ISOXAZOLES HERBICIDES RHONE POULENC AGRICULTURE (GB) 1991-03-27 CN disclosed
EP-0418175-A2 Isoxazoles herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1991-03-20 EP disclosed