SCHEMBL8004556

SCHEMBL8004556

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.46
CNR1 P21554 3/20 0.46
ACHE P22303 3/20 0.46
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALK Q9UM73 1/20 0.37
PSEN1 P49768 5/20 0.36
PSEN2 P49810 5/20 0.36
APH1B Q8WW43 5/20 0.36
NCSTN Q92542 5/20 0.36
APH1A Q96BI3 5/20 0.36
PSENEN Q9NZ42 5/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MGLL Q99685 1/20 0.35
CYP19A1 P11511 2/20 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
SCHEMBL7997055 1.00 CNR2 (0.46) CNR2CNR1ACHEMEN1MAPT
SCHEMBL8001180 0.98 CNR1 (0.48) CNR2CNR1ACHEMEN1MAPT
SCHEMBL8000902 0.98 CNR1 (0.48) CNR2CNR1ACHEMEN1MAPT
SCHEMBL7998907 0.98 CNR1 (0.48) CNR2CNR1ACHEMEN1MAPT
SCHEMBL7988399 0.98 CNR1 (0.48) CNR2CNR1ACHEMEN1MAPT
SCHEMBL7988469 0.96 CNR1 (0.46) CNR2CNR1ACHEMEN1MAPT
SCHEMBL7997605 0.96 CNR1 (0.46) CNR2CNR1ACHEMEN1MAPT
SCHEMBL7997010 0.96 CNR1 (0.43) CNR2CNR1ACHEMEN1MAPT
SCHEMBL7997453 0.92 CNR1 (0.45) CNR2CNR1ACHEMEN1MAPT
SCHEMBL7999428 0.92 MAPT (0.44) 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