SCHEMBL7228189

SCHEMBL7228189

CCOC(=O)C1C=CC=CC1(Oc1ccc(F)c(F)c1)[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
FBP1 P09467 1/20 0.35
LMNA P02545 1/20 0.31
KMT2A Q03164 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
CACNA1F O60840 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CACNA1D Q01668 1/20 0.31
CACNA1S Q13698 1/20 0.31
CACNA1C Q13936 1/20 0.31
KDM4E B2RXH2 2/20 0.31
TSHR P16473 1/20 0.31
MAPT P10636 2/20 0.30
RECQL P46063 1/20 0.30
HTT P42858 2/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL4851386 0.71 HTT (0.35) ALDH1A1LMNAKMT2ATDP1CACNA1F
SCHEMBL11126868 0.70
SCHEMBL3487166 0.69 PPARG (0.34) KMT2AMAPTMEN1
SCHEMBL3486817 0.69 MAPT (0.34) ALDH1A1LMNAKMT2AKDM4EMAPT
SCHEMBL9315112 0.68 MRGPRX4 (0.36) KMT2ATDP1RECQLMEN1
SCHEMBL9788468 0.67 MEN1 (0.33) KMT2AMEN1
SCHEMBL14674386 0.66 MAPT (0.32) LMNAKMT2AMAPTHTTMEN1
SCHEMBL14674109 0.66 PPARG (0.33)
SCHEMBL11109653 0.65 S1PR4 (0.37) ALDH1A1LMNAKMT2ATDP1MAPT
SCHEMBL7828056 0.64

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-6620827-B2 Peroxisome proliferator-activated receptors-gamma to control lipid metabolism ane obesity; antidiabetic, -inflammatory and -arthritic agents; non-insulin dependent diabetes; antilipemic and -cholesterol agents TULARIK INC. 2003-09-16 US disclosed