SCHEMBL8490983

SCHEMBL8490983

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPD P32754 3/20 0.52
FLT1 P17948 1/20 0.46
FLT4 P35916 1/20 0.46
KDR P35968 1/20 0.46
MAPT P10636 4/20 0.45
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 2/20 0.43
GAA P10253 2/20 0.42
KCNMA1 Q12791 1/20 0.42
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL8490985 1.00 HPD (0.52) HPDFLT1FLT4KDRMAPT
SCHEMBL8488686 0.81 GAA (0.66) HPDFLT1FLT4KDRMAPT
SCHEMBL8488684 0.81 GAA (0.66) HPDFLT1FLT4KDRMAPT
SCHEMBL4658862 0.80 HPD (0.62) HPDFLT1FLT4KDRMAPT
SCHEMBL10099704 0.77 ALDH1A1 (0.49) MAPTALDH1A1KMT2ALMNAGAA
SCHEMBL18579153 0.76 HPD (0.57) HPDFLT1FLT4KDRMAPT
SCHEMBL8489355 0.75 HPD (0.50) HPDFLT1FLT4KDRMAPT
SCHEMBL8489357 0.75 HPD (0.50) HPDFLT1FLT4KDRMAPT
SCHEMBL5452045 0.75 HPD (0.60) HPDFLT1FLT4KDRMAPT
SCHEMBL442397 0.75 HPD (0.60) HPDFLT1FLT4KDRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-5656573-A Herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-12 US disclosed
EP-0487357-B1 4 Benzoyl isoxazole derivatives RHONE POULENC AGRICULTURE (GB) 1997-07-02 EP disclosed
EP-0487357-A1 4 Benzoyl isoxazole derivatives RHONE-POULENC AGRICULTURE LTD. (GB) 1992-05-27 EP disclosed