SCHEMBL8897035

SCHEMBL8897035

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPD P32754 3/20 0.48
MAPK1 P28482 2/20 0.38
DHODH Q02127 1/20 0.38
MAPT P10636 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PKM P14618 1/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
TRPV4 Q9HBA0 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL8895023 0.91 HPD (0.48) HPDMAPK1DHODHMAPTMEN1
SCHEMBL8896420 0.85 HPD (0.48) HPDMAPK1DHODHMAPTMEN1
SCHEMBL8490798 0.84 HPD (0.40) HPDMAPK1DHODHMAPTMEN1
SCHEMBL8894469 0.84 HPD (0.48) HPDMAPK1DHODHMAPTMEN1
SCHEMBL8492588 0.81 HPD (0.51) HPDMAPK1DHODHMAPTMEN1
SCHEMBL8495654 0.78 HPD (0.53) HPDMAPK1DHODHMAPTMEN1
SCHEMBL8489367 0.77 HPD (0.52) HPDMAPK1DHODHMAPTMEN1
SCHEMBL8492171 0.77 MAPT (0.42) HPDMAPK1DHODHMAPTMEN1
SCHEMBL8493548 0.76 MEN1 (0.39) HPDMAPK1DHODHMAPTMEN1
SCHEMBL8492271 0.76 MEN1 (0.41) HPDMAPK1DHODHMAPTMEN1

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 1 patent. 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 disclosed