SCHEMBL8489402

SCHEMBL8489402

CC(=O)C(C(=O)OC(C)(C)C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPD P32754 3/20 0.69
MAPK1 P28482 2/20 0.45
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
MAPT P10636 4/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PARP14 Q460N5 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
TRPV4 Q9HBA0 1/20 0.39
LMNA P02545 1/20 0.39
KCNMA1 Q12791 1/20 0.39

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
SCHEMBL8492861 0.91 HPD (0.57) HPDMAPK1FLT1FLT4KDR
SCHEMBL8491489 0.91 HPD (0.59) HPDMAPK1FLT1FLT4KDR
SCHEMBL8488945 0.91 HPD (0.56) HPDMAPK1FLT1FLT4KDR
SCHEMBL8493162 0.89 HPD (0.57) HPDMAPK1FLT1FLT4KDR
SCHEMBL8491557 0.88 HPD (0.74) HPDMAPK1FLT1FLT4KDR
SCHEMBL8494848 0.86 HPD (0.57) HPDMAPK1FLT1FLT4KDR
SCHEMBL8494415 0.86 HPD (0.62) HPDMAPK1FLT1FLT4KDR
SCHEMBL8492060 0.86 HPD (0.50) HPDMAPK1MAPTALDH1A1KMT2A
SCHEMBL8491867 0.86 HPD (0.49) HPDMAPK1MAPTALDH1A1MEN1
SCHEMBL8492978 0.85 HPD (0.53) HPDMAPK1FLT1FLT4KDR

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 11 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
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-0470856-B1 Isoxazole derivatives, process for their preparation and their herbicidal applications RHONE POULENC AGRICULTURE (GB) 1995-10-11 EP disclosed
EP-0470856-A1 Isoxazole derivatives, process for their preparation and their herbicidal applications RHONE-POULENC AGRICULTURE LTD. (GB) 1992-02-12 EP disclosed
EP-0418175-A2 Isoxazoles herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1991-03-20 EP disclosed