SCHEMBL8004464

SCHEMBL8004464

CC=C(CC)Oc1c(OCC(C)CCC)c(=O)n(CC)c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CNR2 P34972 5/20 0.35
CNR1 P21554 4/20 0.35
ACHE P22303 3/20 0.35
MAPT P10636 3/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
CFTR P13569 1/20 0.32
ALK Q9UM73 1/20 0.32
KDR P35968 1/20 0.31
GAA P10253 1/20 0.31
NOX4 Q9NPH5 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
SCHEMBL7998874 0.92 CNR1 (0.39) CYP1A2CNR2CNR1ACHEMAPT
SCHEMBL7998816 0.91 CNR2 (0.42) CYP1A2CNR2CNR1ACHEMAPT
SCHEMBL8004508 0.91 CNR2 (0.42) CYP1A2CNR2CNR1ACHEMAPT
SCHEMBL8000764 0.90 CNR2 (0.38) CYP1A2CNR2CNR1ACHEMAPT
SCHEMBL8000567 0.86 CNR1 (0.42) CYP1A2CNR2CNR1ACHEMAPT
SCHEMBL7997049 0.86 CYP1A2 (0.43) CYP1A2CNR2CNR1ACHEMAPT
SCHEMBL8004803 0.85 KDM4E (0.33) MAPTGAA
SCHEMBL7998934 0.85 CYP1A2 (0.42) CYP1A2MAPTKMT2AMEN1LMNA
SCHEMBL7997453 0.85 CNR1 (0.45) CYP1A2CNR2CNR1ACHEMAPT
SCHEMBL7999487 0.85 CNR1 (0.45) CYP1A2CNR2CNR1ACHEMAPT

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