SCHEMBL7997583

SCHEMBL7997583

CC(C)=CCOc1c(OC(C)C)c(=O)n(C)c2cc(N)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.38
ALDH1A1 P00352 5/20 0.36
CYP1B1 Q16678 3/20 0.36
LMNA P02545 1/20 0.36
ACHE P22303 1/20 0.36
MAPT P10636 5/20 0.33
ABCB1 P08183 2/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
KDM4E B2RXH2 4/20 0.33
HPGD P15428 3/20 0.33
GAA P10253 2/20 0.33
CYP3A4 P08684 5/20 0.32
CASP1 P29466 3/20 0.32
CASP7 P55210 3/20 0.32
HSD17B10 Q99714 3/20 0.32
BACE1 P56817 2/20 0.32
ALOX15 P16050 1/20 0.32
BRPF1 P55201 4/20 0.32
PTGS1 P23219 1/20 0.32

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
SCHEMBL7988062 0.91 TDP1 (0.43) ALDH1A1MAPTKDM4EHPGDCYP3A4
SCHEMBL7988058 0.91 TDP1 (0.43) ALDH1A1MAPTKDM4EHPGDCYP3A4
SCHEMBL8003953 0.88 MAPT (0.42) TTRALDH1A1CYP1B1LMNAACHE
SCHEMBL7998913 0.87 ALDH1A1 (0.36) ALDH1A1CYP1B1LMNAACHEMAPT
SCHEMBL8000766 0.86 RORA (0.34) ALDH1A1CYP1B1LMNAACHEMAPT
SCHEMBL8000642 0.86 TTR (0.38) TTRALDH1A1CYP1B1LMNAACHE
SCHEMBL7989041 0.86 TTR (0.38) TTRALDH1A1CYP1B1LMNAACHE
SCHEMBL7988520 0.86 ALDH1A1 (0.42) TTRALDH1A1CYP1B1LMNAACHE
SCHEMBL7997796 0.84 PSEN1 (0.38) MAPTKDM4EMAPK1MEN1KMT2A
SCHEMBL7999044 0.84 PSEN1 (0.38) MAPTKDM4EMAPK1MEN1KMT2A

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