SCHEMBL8004803

SCHEMBL8004803

CC=C(CC)Oc1c(OCC(C)CCC)c(=O)n(CC)c2cc(N)ccc12

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
GFER P55789 1/20 0.33
METAP2 P50579 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
SCHEMBL7999242 0.92 RORA (0.32) KDM4EALDH1A1
SCHEMBL8000839 0.90 KDM4E (0.35) KDM4EALDH1A1MAPT
SCHEMBL7988319 0.90 KDM4E (0.35) KDM4EALDH1A1MAPT
SCHEMBL7999452 0.90 TTR (0.36)
SCHEMBL8004464 0.85 CYP1A2 (0.38) GAAMAPT
SCHEMBL8001062 0.85 ALDH1A1 (0.36) KDM4EALDH1A1GAAMAPTGFER
SCHEMBL7997700 0.85 KDM4E (0.38) KDM4EALDH1A1GAAMAPTGFER
SCHEMBL7998916 0.84 KDM4E (0.37) KDM4EALDH1A1GAAMAPTGFER
SCHEMBL7988376 0.83 GSK3B (0.35) KDM4EALDH1A1GAAMAPTGFER
SCHEMBL7999026 0.83 GSK3B (0.35) KDM4EALDH1A1GAAMAPTGFER

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