SCHEMBL7997382

SCHEMBL7997382

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
CNR2 P34972 5/20 0.41
CNR1 P21554 3/20 0.41
ACHE P22303 3/20 0.41
PSEN1 P49768 5/20 0.35
PSEN2 P49810 5/20 0.35
APH1B Q8WW43 5/20 0.35
NCSTN Q92542 5/20 0.35
APH1A Q96BI3 5/20 0.35
PSENEN Q9NZ42 5/20 0.35
CYP1A2 P05177 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL8001236 1.00 MEN1 (0.42) MEN1MAPTKMT2ACNR2CNR1
SCHEMBL8001657 0.96 CNR1 (0.38) MEN1MAPTKMT2ACNR2CNR1
SCHEMBL7999428 0.90 MAPT (0.44) MEN1MAPTKMT2ACNR2CNR1
SCHEMBL8004125 0.90 MAPT (0.44) MEN1MAPTKMT2ACNR2CNR1
SCHEMBL8004556 0.89 CNR2 (0.46) MEN1MAPTKMT2ACNR2CNR1
SCHEMBL8000902 0.89 CNR1 (0.48) MEN1MAPTKMT2ACNR2CNR1
SCHEMBL8001180 0.89 CNR1 (0.48) MEN1MAPTKMT2ACNR2CNR1
SCHEMBL7988399 0.89 CNR1 (0.48) MEN1MAPTKMT2ACNR2CNR1
SCHEMBL7998907 0.89 CNR1 (0.48) MEN1MAPTKMT2ACNR2CNR1
SCHEMBL7997055 0.89 CNR2 (0.46) MEN1MAPTKMT2ACNR2CNR1

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