SCHEMBL7999732

SCHEMBL7999732

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.45
ACHE P22303 3/20 0.45
CNR2 P34972 3/20 0.45
MAPT P10636 4/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ALK Q9UM73 1/20 0.35
PKM P14618 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
BCL9 O00512 1/20 0.35
CTNNB1 P35222 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
SCHEMBL8000837 0.96 CNR1 (0.48) CNR1ACHECNR2MAPTPOLB
SCHEMBL8004298 0.96 CNR1 (0.48) CNR1ACHECNR2MAPTPOLB
SCHEMBL7997010 0.90 CNR1 (0.43) CNR1ACHECNR2MAPTPOLB
SCHEMBL8000567 0.89 CNR1 (0.42) CNR1ACHECNR2MAPTPOLB
SCHEMBL7997055 0.89 CNR2 (0.46) CNR1ACHECNR2MAPTMEN1
SCHEMBL8004556 0.89 CNR2 (0.46) CNR1ACHECNR2MAPTMEN1
SCHEMBL8001123 0.88 CYP1A2 (0.38) CNR1ACHECNR2MAPTPOLB
SCHEMBL7997387 0.88 CNR1 (0.47) CNR1ACHECNR2MAPTPOLB
SCHEMBL7998954 0.87 HTR1A (0.36) CNR1ACHECNR2MAPTPOLB
SCHEMBL7988399 0.87 CNR1 (0.48) 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