SCHEMBL7997746

SCHEMBL7997746

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.41
ACHE P22303 2/20 0.41
CNR2 P34972 2/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALK Q9UM73 1/20 0.38
TDP1 Q9NUW8 6/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RORA P35398 1/20 0.36
RORC P51449 1/20 0.36
RORB Q92753 1/20 0.36

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
SCHEMBL8000736 0.96 MAPT (0.46) CNR1ACHECNR2MAPTMEN1
SCHEMBL8001185 0.96 CNR1 (0.45) CNR1ACHECNR2MAPTMEN1
SCHEMBL8004389 0.96 MAPT (0.46) CNR1ACHECNR2MAPTMEN1
SCHEMBL7997262 0.94 CNR1 (0.47) CNR1ACHECNR2MAPTMEN1
SCHEMBL8004904 0.94 CNR1 (0.47) CNR1ACHECNR2MAPTMEN1
SCHEMBL8001018 0.93 CYP1A2 (0.44) CNR1ACHECNR2MAPTMEN1
SCHEMBL7998918 0.92 CNR1 (0.46) CNR1ACHECNR2MAPTMEN1
SCHEMBL7989154 0.91 MEN1 (0.42) CNR1ACHECNR2MAPTMEN1
SCHEMBL7998912 0.90 CNR1 (0.43) CNR1ACHECNR2MAPTMEN1
SCHEMBL7997512 0.89 CNR1 (0.43) 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