SCHEMBL6579090

SCHEMBL6579090

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MCL1 Q07820 1/20 0.37
CES2 O00748 2/20 0.37
HDAC11 Q96DB2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
THRA P10827 5/20 0.36
THRB P10828 5/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.35
PLA2G4B P0C869 2/20 0.34

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
SCHEMBL6582373 0.91 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDMAPTMAPK1
SCHEMBL6578896 0.91 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDMAPTMAPK1
SCHEMBL6576478 0.87 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDMAPTMAPK1
SCHEMBL6578901 0.87 GAA (0.42) MAOAMAOBALDH1A1KDM4EHPGD
SCHEMBL6579455 0.86 MEN1 (0.41) ALDH1A1KDM4EHPGDMAPTMAPK1
SCHEMBL6579513 0.84 TDP1 (0.49) MAOAMAOBALDH1A1KDM4EHPGD
SCHEMBL6579442 0.83 CYP19A1 (0.44) ALDH1A1SMN1; SMN2
SCHEMBL6580983 0.83 CYP19A1 (0.44) ALDH1A1SMN1; SMN2
SCHEMBL6577096 0.82 GAA (0.44) MAOAMAOBALDH1A1KDM4EHPGD
SCHEMBL6578770 0.81 MEN1 (0.43) MAOBALDH1A1MAPTMAPK1SMN1; SMN2

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