SCHEMBL7997470

SCHEMBL7997470

CC=C(CC)Oc1c(OC(C)=O)c(=O)[nH]c2cc(NC)ccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.36
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
GLA P06280 1/20 0.34
MAOA P21397 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
TERT O14746 4/20 0.33
ERCC1 P07992 1/20 0.33
FEN1 P39748 1/20 0.33
ERCC4 Q92889 1/20 0.33
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL8001570 0.89 AR (0.38) ARKDM4EGAATERTMAPT
SCHEMBL7997059 0.87 AR (0.36) ARTERT
SCHEMBL8001216 0.86 AR (0.36) ARTERTMAPT
SCHEMBL8001427 0.84 PARP1 (0.41) ARKDM4EGAAGLAGRIN2D
SCHEMBL8002169 0.84 PARP1 (0.41) ARKDM4EGAAGLAGRIN2D
SCHEMBL8004193 0.83 GRIN2D (0.46) ARKDM4EGAAGLAMAOA
SCHEMBL8000599 0.81 KDM4E (0.38) ARKDM4EGAAGLAMAOA
SCHEMBL8000625 0.81 PARP1 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7997467 0.80 ALDH1A1 (0.36) ARKDM4EGAAGLAMAOA
SCHEMBL7997507 0.80 GPR17 (0.37) ARKDM4EGAAGLA

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