SCHEMBL8488684

SCHEMBL8488684

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

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.66
ALDH1A1 P00352 5/20 0.53
MAPT P10636 5/20 0.50
HPD P32754 3/20 0.50
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
FLT1 P17948 1/20 0.46
FLT4 P35916 1/20 0.46
KDR P35968 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
KCNMA1 Q12791 1/20 0.43
MEN1 O00255 1/20 0.42
PKM P14618 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
SCHEMBL8488686 1.00 GAA (0.66) GAAALDH1A1MAPTHPDKMT2A
SCHEMBL28999961 0.83 MAPT (0.53) GAAALDH1A1MAPTKMT2ALMNA
SCHEMBL8490985 0.81 HPD (0.52) GAAALDH1A1MAPTHPDKMT2A
SCHEMBL8490983 0.81 HPD (0.52) GAAALDH1A1MAPTHPDKMT2A
SCHEMBL15103245 0.80 ALDH1A1 (0.53) GAAALDH1A1MAPTKMT2ALMNA
SCHEMBL15103246 0.80 ALDH1A1 (0.53) GAAALDH1A1MAPTKMT2ALMNA
SCHEMBL4998379 0.80 GAA (1.00) GAAALDH1A1MAPTLMNAHTT
SCHEMBL17709109 0.80 GAA (0.74) GAAALDH1A1MAPTLMNAHTT
SCHEMBL31083945 0.80 GAA (0.74) GAAALDH1A1MAPTLMNAHTT
SCHEMBL17709107 0.80 GAA (0.74) GAAALDH1A1MAPTLMNAHTT

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 8 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
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
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
EP-0418175-A2 Isoxazoles herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1991-03-20 EP disclosed