SCHEMBL7997318

SCHEMBL7997318

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.40
CNR1 P21554 2/20 0.40
ACHE P22303 2/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 3/20 0.39
CYP1A2 P05177 2/20 0.37
PSMD14 O00487 1/20 0.37
NPC1 O15118 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HPGD P15428 1/20 0.36
NOX4 Q9NPH5 2/20 0.36
SRC P12931 2/20 0.36
TDP1 Q9NUW8 3/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL8001594 0.96 MAPT (0.45) CNR2CNR1ACHEMEN1MAPT
SCHEMBL8001373 0.96 MAPT (0.45) CNR2CNR1ACHEMEN1MAPT
SCHEMBL8001548 0.90 CYP1A2 (0.45) CNR2CNR1ACHEMEN1MAPT
SCHEMBL7998878 0.89 MEN1 (0.41) CNR2CNR1ACHEMEN1MAPT
SCHEMBL7997010 0.89 CNR1 (0.43) CNR2CNR1ACHEMEN1MAPT
SCHEMBL8001195 0.88 CNR1 (0.39) CNR2CNR1ACHEMEN1MAPT
SCHEMBL8000520 0.88 CNR1 (0.39) CNR2CNR1ACHEMEN1MAPT
SCHEMBL7988469 0.87 CNR1 (0.46) CNR2CNR1ACHEMEN1MAPT
SCHEMBL7997605 0.87 CNR1 (0.46) CNR2CNR1ACHEMEN1MAPT
SCHEMBL8001657 0.87 CNR1 (0.38) CNR2CNR1ACHEMEN1MAPT

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