SCHEMBL8002154

SCHEMBL8002154

CCCCCCCCOc1c(OCC=C(C)CCC=C(C)C)c2ccc([N+](=O)[O-])cc2n(CCCCCCCC)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.42
ACHE P22303 2/20 0.42
CNR2 P34972 2/20 0.42
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
BACE1 P56817 4/20 0.38
CYP3A4 P08684 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
CYP2E1 P05181 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP3A5 P20815 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL7997729 1.00 CNR1 (0.42) CNR1ACHECNR2MEN1MAPT
SCHEMBL7997550 1.00 CNR1 (0.42) CNR1ACHECNR2MEN1MAPT
SCHEMBL8000698 1.00 CNR1 (0.42) CNR1ACHECNR2MEN1MAPT
SCHEMBL7999360 1.00 CNR1 (0.42) CNR1ACHECNR2MEN1MAPT
SCHEMBL8000686 1.00 CNR1 (0.42) CNR1ACHECNR2MEN1MAPT
SCHEMBL7997547 1.00 CNR1 (0.42) CNR1ACHECNR2MEN1MAPT
SCHEMBL8000705 1.00 CNR1 (0.42) CNR1ACHECNR2MEN1MAPT
SCHEMBL7999364 1.00 CNR1 (0.42) CNR1ACHECNR2MEN1MAPT
SCHEMBL8004157 1.00 CNR1 (0.42) CNR1ACHECNR2MEN1MAPT
SCHEMBL8002149 1.00 CNR1 (0.42) CNR1ACHECNR2MEN1MAPT

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