SCHEMBL7989425

SCHEMBL7989425

CC(C)=CCOc1c(OC=O)c(=O)n(C)c2cc(N(C)C)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
KDM4E B2RXH2 8/20 0.42
HSD17B10 Q99714 5/20 0.42
MAPT P10636 5/20 0.42
HPGD P15428 4/20 0.42
THRB P10828 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 5/20 0.40
GLA P06280 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1B1 Q16678 3/20 0.36
LMNA P02545 1/20 0.36
ACHE P22303 1/20 0.36
ABCB1 P08183 2/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 4/20 0.32
BACE1 P56817 2/20 0.32
CASP1 P29466 2/20 0.31
CASP7 P55210 2/20 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
SCHEMBL8001550 0.91 TDP1 (0.42) ALDH1A1KDM4EHSD17B10MAPTHPGD
SCHEMBL8001547 0.91 TDP1 (0.42) ALDH1A1KDM4EHSD17B10MAPTHPGD
SCHEMBL8004335 0.87 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10MAPTHPGD
SCHEMBL7989041 0.85 TTR (0.38) ALDH1A1KDM4EHSD17B10MAPTHPGD
SCHEMBL8004883 0.83 KDM4E (0.42) ALDH1A1KDM4EHSD17B10MAPTHPGD
SCHEMBL8000536 0.82 ALDH1A1 (0.53) ALDH1A1KDM4EHSD17B10MAPTHPGD
SCHEMBL7988407 0.81 MAPT (0.36) ALDH1A1MAPTNPSR1GAASMN1; SMN2
SCHEMBL7988679 0.81 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10MAPTHPGD
SCHEMBL7998821 0.81 ALDH1A1 (0.53) ALDH1A1KDM4EHSD17B10MAPTHPGD
SCHEMBL7998548 0.80 KDM4E (0.43) ALDH1A1KDM4EHSD17B10MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6114352-A Quinolinone derivative and anti-allergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-09-05 US disclosed
EP-0785190-B1 Quinolinone derivative and antiallergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK & CHEMICALS (JP) 2000-08-16 EP disclosed
US-5942521-A Quinolinone derivative and anti-allergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-08-24 US disclosed