SCHEMBL8490798

SCHEMBL8490798

CC(=O)OC(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cnoc1C1CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPD P32754 3/20 0.40
MAPK1 P28482 3/20 0.40
MAPT P10636 5/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
DHODH Q02127 1/20 0.37
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
PKM P14618 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL8493548 0.88 MEN1 (0.39) HPDMAPK1MAPTALDH1A1MEN1
SCHEMBL8897035 0.84 HPD (0.48) HPDMAPK1MAPTALDH1A1MEN1
SCHEMBL8492171 0.83 MAPT (0.42) HPDMAPK1MAPTALDH1A1MEN1
SCHEMBL8492271 0.82 MEN1 (0.41) HPDMAPK1MAPTALDH1A1MEN1
SCHEMBL8492169 0.81 MEN1 (0.41) HPDMAPK1MAPTALDH1A1MEN1
SCHEMBL8488250 0.81 KMT2A (0.39) HPDMAPK1MAPTALDH1A1MEN1
SCHEMBL8895023 0.79 HPD (0.48) HPDMAPK1MAPTALDH1A1MEN1
SCHEMBL8896420 0.78 HPD (0.48) HPDMAPK1MAPTALDH1A1MEN1
SCHEMBL8894469 0.77 HPD (0.48) HPDMAPK1MAPTALDH1A1MEN1
SCHEMBL8492588 0.77 HPD (0.51) HPDMAPK1MAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5656573-A Herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-12 US claimed
EP-0470856-B1 Isoxazole derivatives, process for their preparation and their herbicidal applications RHONE POULENC AGRICULTURE (GB) 1995-10-11 EP claimed
EP-0470856-A1 Isoxazole derivatives, process for their preparation and their herbicidal applications RHONE-POULENC AGRICULTURE LTD. (GB) 1992-02-12 EP claimed
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-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