SCHEMBL6577096

SCHEMBL6577096

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.44
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 4/20 0.39
CYP2C19 P33261 2/20 0.39
LMNA P02545 2/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
CYP2C9 P11712 1/20 0.39
PDE4D Q08499 1/20 0.39
CYP2D6 P10635 2/20 0.38
SCN1A P35498 2/20 0.38
SCN2A Q99250 2/20 0.38
SCN3A Q9NY46 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 4/20 0.36
HSD17B10 Q99714 4/20 0.36
HTR4 Q13639 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
SCHEMBL6578901 0.95 GAA (0.42) GAAALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL7996804 0.91 CYP1A2 (0.43) GAAALDH1A1KDM4EL3MBTL1CYP1A2
SCHEMBL6579987 0.89 GAA (0.49) GAAALDH1A1KDM4EHPGDCYP1A2
SCHEMBL6581109 0.89 CYP1A2 (0.44) GAAALDH1A1KDM4EL3MBTL1CYP1A2
SCHEMBL6581936 0.88 ALDH1A1 (0.49) GAAALDH1A1KDM4EL3MBTL1CYP1A2
SCHEMBL6582955 0.86 ALDH1A1 (0.44) GAAALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL6579314 0.86 ALDH1A1 (0.44) GAAALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL6579489 0.84 GAA (0.51) GAAALDH1A1KDM4EHPGDLMNA
SCHEMBL7995135 0.84 ALDH1A1 (0.41) ALDH1A1MAPTNPC1RAB9A
SCHEMBL8002604 0.83 CYP1A2 (0.45) GAAALDH1A1KDM4EHPGDCYP1A2

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