SCHEMBL8000840

SCHEMBL8000840

CC=C(CC)Oc1c(O)c(=O)n(C)c2cc(NCCCCCCCC)ccc12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.38
ABL1 P00519 1/20 0.35
TERT O14746 1/20 0.35
ATM Q13315 1/20 0.34
ADRA2A P08913 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AR P10275 1/20 0.33
GPR84 Q9NQS5 3/20 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
SCHEMBL7998193 0.88 ABL1 (0.34) GSK3BABL1TERTATMADRA2A
SCHEMBL8000873 0.86 GSK3B (0.40) GSK3BABL1TERTADRA2AKDM4E
SCHEMBL8001306 0.86 AR (0.34) GSK3BABL1TERTATMADRA2A
SCHEMBL7988882 0.85 GSK3B (0.40) GSK3BABL1TERTADRA2AKDM4E
SCHEMBL8004498 0.85 GSK3B (0.40) GSK3BABL1TERTADRA2AKDM4E
SCHEMBL8001531 0.85 TERT (0.32) GSK3BABL1TERTATMADRA2A
SCHEMBL7997498 0.85 AR (0.35) ATMKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7997504 0.84 AR (0.35) ATMKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7988965 0.83 GSK3B (0.40) GSK3BABL1TERTKDM4EALDH1A1
SCHEMBL8004860 0.83 GSK3B (0.46) GSK3BABL1ADRA2AKDM4EALDH1A1

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 3 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