SCHEMBL7997591

SCHEMBL7997591

CCCCCCCCOc1c(OC)c2ccc([N+](=O)[O-])cc2n(CCCCCCCC)c1=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.49
ACHE P22303 2/20 0.49
CNR2 P34972 2/20 0.49
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP19A1 P11511 4/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 3/20 0.40
TDP2 O95551 1/20 0.40
CYP1A2 P05177 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KCNA3 P22001 1/20 0.39
KCNA5 P22460 1/20 0.39

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
SCHEMBL8001980 1.00 CNR1 (0.49) CNR1ACHECNR2MAPTMEN1
SCHEMBL8001574 1.00 CNR1 (0.49) CNR1ACHECNR2MAPTMEN1
SCHEMBL8004088 1.00 CNR1 (0.49) CNR1ACHECNR2MAPTMEN1
SCHEMBL8004567 0.98 MEN1 (0.48) CNR1ACHECNR2MAPTMEN1
SCHEMBL7996986 0.98 CNR1 (0.47) CNR1ACHECNR2MAPTMEN1
SCHEMBL7989245 0.98 CNR1 (0.47) CNR1ACHECNR2MAPTMEN1
SCHEMBL8000831 0.98 MEN1 (0.48) CNR1ACHECNR2MAPTMEN1
SCHEMBL8004201 0.96 CNR1 (0.49) CNR1ACHECNR2MAPTMEN1
SCHEMBL7988675 0.96 CNR1 (0.49) CNR1ACHECNR2MAPTMEN1
SCHEMBL7997243 0.95 CNR1 (0.52) 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