SCHEMBL8004579

SCHEMBL8004579

CCCCOc1c(OC(C)=O)c(=O)n(CCCC)c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.41
ACHE P22303 1/20 0.41
CNR2 P34972 1/20 0.41
MAPT P10636 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALK Q9UM73 1/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 2/20 0.38
BCL9 O00512 1/20 0.38
CTNNB1 P35222 1/20 0.38
CYP1A2 P05177 1/20 0.38
PKM P14618 1/20 0.38
POLB P06746 2/20 0.38
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
MGLL Q99685 1/20 0.37

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
SCHEMBL8004131 0.96 MEN1 (0.46) CNR1ACHECNR2MAPTMEN1
SCHEMBL8004355 0.96 MEN1 (0.46) CNR1ACHECNR2MAPTMEN1
SCHEMBL7999941 0.96 CNR1 (0.44) CNR1ACHECNR2MAPTMEN1
SCHEMBL8001179 0.94 CNR1 (0.46) CNR1ACHECNR2MAPTMEN1
SCHEMBL7999860 0.94 CNR1 (0.46) CNR1ACHECNR2MAPTMEN1
SCHEMBL7997731 0.94 MAPT (0.41) CNR1ACHECNR2MAPTMEN1
SCHEMBL8001786 0.93 CYP1A2 (0.44) CNR1ACHECNR2MAPTMEN1
SCHEMBL7998312 0.91 MAPT (0.41) CNR1ACHECNR2MAPTMEN1
SCHEMBL7998918 0.91 CNR1 (0.46) CNR1ACHECNR2MAPTMEN1
SCHEMBL7999130 0.90 MAPT (0.46) CNR1ACHECNR2MAPTMEN1

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