SCHEMBL8490485

SCHEMBL8490485

CCOC=C(C(=O)c1ccc(C(F)(F)C(F)(F)F)cc1[N+](=O)[O-])C(=O)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPD P32754 3/20 0.40
MAPK1 P28482 1/20 0.36
MAPT P10636 6/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
LGALS3 P17931 1/20 0.33
LGALS4 P56470 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
FLT1 P17948 1/20 0.32
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.31

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
SCHEMBL8490479 1.00 HPD (0.40) HPDMAPK1MAPTCYP2C9CYP2C19
SCHEMBL8492099 0.92 HPD (0.48) HPDMAPK1MAPTCYP2C9CYP2C19
SCHEMBL8492102 0.92 HPD (0.48) HPDMAPK1MAPTCYP2C9CYP2C19
SCHEMBL8491093 0.89 HPD (0.38) HPDMAPK1MAPTCYP2C9CYP2C19
SCHEMBL8886156 0.89 HPD (0.38) HPDMAPK1MAPTCYP2C9CYP2C19
SCHEMBL8685762 0.89 HPD (0.47) HPDMAPK1MAPTCYP2C9CYP2C19
SCHEMBL8491165 0.89 HPD (0.47) HPDMAPK1MAPTCYP2C9CYP2C19
SCHEMBL8491168 0.89 HPD (0.47) HPDMAPK1MAPTCYP2C9CYP2C19
SCHEMBL8492870 0.89 HPD (0.47) HPDMAPK1MAPTCYP2C9CYP2C19
SCHEMBL8493334 0.87 HPD (0.43) HPDMAPTCYP2C19CYP1A2CYP3A4

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