SCHEMBL8488607

SCHEMBL8488607

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPD P32754 3/20 0.47
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 3/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
TRPV4 Q9HBA0 1/20 0.34
GLA P06280 2/20 0.33
HTT P42858 2/20 0.33
CES2 O00748 1/20 0.33
ABCB11 O95342 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 1/20 0.33

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
SCHEMBL8493162 0.92 HPD (0.57) HPDALDH1A1MAPK1MAPTMEN1
SCHEMBL8492861 0.89 HPD (0.57) HPDALDH1A1MAPK1MAPTMEN1
SCHEMBL8488173 0.85 HPD (0.48) HPDALDH1A1MAPK1MAPTMEN1
SCHEMBL8491489 0.81 HPD (0.59) HPDALDH1A1MAPK1MAPTMEN1
SCHEMBL8489402 0.81 HPD (0.69) HPDALDH1A1MAPK1MAPTMEN1
SCHEMBL8488945 0.78 HPD (0.56) HPDALDH1A1MAPK1MAPTMEN1
SCHEMBL8491557 0.78 HPD (0.74) HPDALDH1A1MAPK1MAPTMEN1
SCHEMBL8492734 0.78 HPD (0.54) HPDALDH1A1MAPK1MAPTMEN1
SCHEMBL8489296 0.78 HPD (0.53) HPDALDH1A1MAPK1MAPTMEN1
SCHEMBL8685482 0.77 HPD (0.63) HPDALDH1A1MAPK1MAPTMEN1

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 6 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-0418175-B1 Isoxazoles herbicides RHONE POULENC AGRICULTURE (GB) 1996-07-17 EP disclosed
EP-0418175-A2 Isoxazoles herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1991-03-20 EP disclosed