SCHEMBL8895023

SCHEMBL8895023

COC(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
DHODH Q02127 1/20 0.39
MAPT P10636 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PKM P14618 1/20 0.37
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37
LGALS3 P17931 1/20 0.36
LGALS4 P56470 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36

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
SCHEMBL8897035 0.91 HPD (0.48) HPDDHODHMAPTMEN1KMT2A
SCHEMBL8896420 0.87 HPD (0.48) HPDDHODHMAPTMEN1KMT2A
SCHEMBL8894469 0.86 HPD (0.48) HPDDHODHMAPTMEN1KMT2A
SCHEMBL8492588 0.82 HPD (0.51) HPDDHODHMAPTMEN1KMT2A
SCHEMBL8493548 0.82 MEN1 (0.39) HPDDHODHMAPTMEN1KMT2A
SCHEMBL8495654 0.79 HPD (0.53) HPDDHODHMAPTMEN1KMT2A
SCHEMBL8490798 0.79 HPD (0.40) HPDDHODHMAPTMEN1KMT2A
SCHEMBL8492171 0.78 MAPT (0.42) HPDDHODHMAPTMEN1KMT2A
SCHEMBL8489367 0.78 HPD (0.52) HPDDHODHMAPTMEN1KMT2A
SCHEMBL8492271 0.77 MEN1 (0.41) HPDDHODHMAPTMEN1KMT2A

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