SCHEMBL6576478

SCHEMBL6576478

CCOCC(=O)N(C)c1cc(N(C)C)ccc1C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
MAPT P10636 6/20 0.45
KDM4E B2RXH2 4/20 0.45
HSD17B10 Q99714 2/20 0.45
NPC1 O15118 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
MAPK1 P28482 3/20 0.37
HPGD P15428 2/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 5/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KMT2A Q03164 4/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 2/20 0.36
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRA1 P14867 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
SCHEMBL6579090 0.87 MAOA (0.38) ALDH1A1MAPTKDM4EHSD17B10NPC1
SCHEMBL6579987 0.84 GAA (0.49) ALDH1A1MAPTKDM4EHSD17B10MAPK1
SCHEMBL6578770 0.81 MEN1 (0.43) ALDH1A1MAPTHSD17B10NPC1SMN1; SMN2
SCHEMBL6580873 0.81 TDP1 (0.56) ALDH1A1MAPTKDM4EHSD17B10NPC1
SCHEMBL6578905 0.80 ALDH1A1 (0.49) ALDH1A1MAPTKDM4EHSD17B10SMN1; SMN2
SCHEMBL6579455 0.79 MEN1 (0.41) ALDH1A1MAPTKDM4EHSD17B10NPC1
SCHEMBL6579806 0.79 ALDH1A1 (0.38) ALDH1A1MAPTKDM4EHSD17B10NPC1
SCHEMBL6578896 0.77 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EHSD17B10NPC1
SCHEMBL6582373 0.77 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EHSD17B10NPC1
SCHEMBL6581131 0.77 KDM4E (0.39) ALDH1A1MAPTKDM4EHSD17B10MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927718-B1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK & CHEMICALS (JP) 2004-02-25 EP disclosed
US-6271416-B1 O-(HYDROCARBONOXYACETAMIDO)BENZOIC ACID DERIVATIVES AS INTERMEDIATES DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-08-07 US disclosed
US-6136822-A ETHER, HYDROXY QUINOLINONE COMPOUNDS DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-10-24 US disclosed
EP-0927718-A1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-07-07 EP disclosed