SCHEMBL7998913

SCHEMBL7998913

CCn1c(=O)c(OC(C)C)c(OCC=C(C)C)c2ccc(N)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.36
MAPT P10636 5/20 0.36
KDM4E B2RXH2 5/20 0.36
GAA P10253 3/20 0.36
GFER P55789 1/20 0.36
CYP1B1 Q16678 3/20 0.35
LMNA P02545 1/20 0.35
ACHE P22303 1/20 0.35
HPGD P15428 3/20 0.34
ABCB1 P08183 2/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
SRC P12931 2/20 0.32
CYP3A4 P08684 2/20 0.31
BACE1 P56817 1/20 0.31
MAPK1 P28482 2/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
HBB P68871 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL8004420 0.92 TDP1 (0.42) ALDH1A1MAPTKDM4EHPGDCYP3A4
SCHEMBL8004413 0.92 TDP1 (0.42) ALDH1A1MAPTKDM4EHPGDCYP3A4
SCHEMBL8000766 0.90 RORA (0.34) ALDH1A1MAPTKDM4EGAACYP1B1
SCHEMBL7999044 0.88 PSEN1 (0.38) MAPTKDM4EMAPK1MEN1HTT
SCHEMBL7997796 0.88 PSEN1 (0.38) MAPTKDM4EMAPK1MEN1HTT
SCHEMBL8004888 0.88 MAPT (0.40) ALDH1A1MAPTKDM4EGAAGFER
SCHEMBL7997583 0.87 TTR (0.38) ALDH1A1MAPTKDM4EGAACYP1B1
SCHEMBL7999009 0.86 KDM4E (0.41) ALDH1A1MAPTKDM4EGAAGFER
SCHEMBL8004249 0.86 ALDH1A1 (0.37) ALDH1A1MAPTKDM4EGAAGFER
SCHEMBL7998661 0.86 ALDH1A1 (0.38) ALDH1A1MAPTKDM4EGAAGFER

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
US-6114352-A Quinolinone derivative and anti-allergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-09-05 US disclosed
EP-0785190-B1 Quinolinone derivative and antiallergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK & CHEMICALS (JP) 2000-08-16 EP disclosed
US-5942521-A Quinolinone derivative and anti-allergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-08-24 US disclosed
EP-0785190-A2 Quinolinone derivative and antiallergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 1997-07-23 EP disclosed