SCHEMBL6579987

SCHEMBL6579987

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.49
ALDH1A1 P00352 7/20 0.45
KDM4E B2RXH2 7/20 0.45
MAPT P10636 5/20 0.45
HSD17B10 Q99714 4/20 0.45
HPGD P15428 3/20 0.39
GLA P06280 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
ABL1 P00519 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAOA P21397 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2C P28335 1/20 0.36
CHRNA4 P43681 1/20 0.36
HTR3A P46098 1/20 0.36
KCNH2 Q12809 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
SCHEMBL6579489 0.89 GAA (0.51) GAAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL6577096 0.89 GAA (0.44) GAAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL6578901 0.87 GAA (0.42) GAAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL6577268 0.86 GAA (0.48) GAAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL6578827 0.86 GAA (0.43) GAAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL6576478 0.84 ALDH1A1 (0.45) GAAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL8308701 0.81 GAA (0.46) GAAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL8002604 0.81 CYP1A2 (0.45) GAAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL6580873 0.81 TDP1 (0.56) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL6579937 0.81 GAA (0.43) GAAALDH1A1KDM4EMAPTHSD17B10

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