SCHEMBL7998874

SCHEMBL7998874

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.39
CNR2 P34972 4/20 0.39
ACHE P22303 3/20 0.39
MAPT P10636 5/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 2/20 0.32
ALK Q9UM73 1/20 0.32
PSMD14 O00487 1/20 0.32
NPC1 O15118 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 5/20 0.32
TDP2 O95551 2/20 0.32
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL8004508 0.97 CNR2 (0.42) CNR1CNR2ACHEMAPTMEN1
SCHEMBL7998816 0.97 CNR2 (0.42) CNR1CNR2ACHEMAPTMEN1
SCHEMBL8004464 0.92 CYP1A2 (0.38) CNR1CNR2ACHEMAPTMEN1
SCHEMBL8000764 0.90 CNR2 (0.38) CNR1CNR2ACHEMAPTMEN1
SCHEMBL7997010 0.89 CNR1 (0.43) CNR1CNR2ACHEMAPTMEN1
SCHEMBL7988469 0.87 CNR1 (0.46) CNR1CNR2ACHEMAPTMEN1
SCHEMBL8001657 0.87 CNR1 (0.38) CNR1CNR2ACHEMAPTMEN1
SCHEMBL7997605 0.87 CNR1 (0.46) CNR1CNR2ACHEMAPTMEN1
SCHEMBL8002214 0.87 CNR2 (0.41) CNR1CNR2ACHEMAPTMEN1
SCHEMBL7997468 0.87 CNR1 (0.39) CNR1CNR2ACHEMAPTMEN1

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