SCHEMBL6579937

SCHEMBL6579937

C=CCN(C(=O)COCC)c1cc(N)ccc1C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
ALDH1A1 P00352 6/20 0.40
MAPT P10636 5/20 0.40
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 4/20 0.40
HPGD P15428 3/20 0.35
GLA P06280 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
ATM Q13315 1/20 0.35
ABL1 P00519 1/20 0.34
TSHR P16473 2/20 0.33
ALOX15 P16050 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33
MAOA P21397 1/20 0.33
HTR2C P28335 1/20 0.33
CHRNA4 P43681 1/20 0.33
HTR3A P46098 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL6577268 0.87 GAA (0.48) GAAALDH1A1MAPTKDM4EHSD17B10
SCHEMBL6579571 0.84 TDP1 (0.50) ALDH1A1MAPTKDM4EHSD17B10HPGD
SCHEMBL6581460 0.83 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EHSD17B10TDP1
SCHEMBL6578891 0.81 MAOB (0.38) GAAALDH1A1MAPTKDM4EHSD17B10
SCHEMBL6578885 0.81 MAOB (0.38) GAAALDH1A1MAPTKDM4EHSD17B10
SCHEMBL6579987 0.81 GAA (0.49) GAAALDH1A1MAPTKDM4EHSD17B10
SCHEMBL6579894 0.80 ALDH1A1 (0.40) GAAALDH1A1MAPTKDM4EHSD17B10
SCHEMBL6576838 0.78 GAA (0.49) GAAALDH1A1MAPTKDM4EHSD17B10
SCHEMBL6579883 0.75 CYP1A2 (0.38) GAAALDH1A1MAPTKDM4EHSD17B10
SCHEMBL6577038 0.74 GAA (0.47) GAAALDH1A1MAPTKDM4EHSD17B10

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