SCHEMBL8004844

SCHEMBL8004844

CCCCCCOc1c(OC/C=C(\C)CCC=C(C)C)c2ccc([N+](=O)[O-])cc2n(CC)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
CNR1 P21554 1/20 0.39
ACHE P22303 1/20 0.39
CNR2 P34972 1/20 0.39
CYP3A4 P08684 4/20 0.39
TDP1 Q9NUW8 4/20 0.39
BACE1 P56817 4/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP2E1 P05181 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 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
SCHEMBL8004350 1.00 CYSLTR2 (0.40) CYSLTR2CYSLTR1CNR1ACHECNR2
SCHEMBL8004851 1.00 CYSLTR2 (0.40) CYSLTR2CYSLTR1CNR1ACHECNR2
SCHEMBL7998782 1.00 CYSLTR2 (0.40) CYSLTR2CYSLTR1CNR1ACHECNR2
SCHEMBL7998774 1.00 CYSLTR2 (0.40) CYSLTR2CYSLTR1CNR1ACHECNR2
SCHEMBL8004347 1.00 CYSLTR2 (0.40) CYSLTR2CYSLTR1CNR1ACHECNR2
SCHEMBL7997995 0.97 TDP1 (0.40) CYSLTR2CYSLTR1CNR1ACHECNR2
SCHEMBL7997057 0.97 TDP1 (0.40) CYSLTR2CYSLTR1CNR1ACHECNR2
SCHEMBL7997060 0.97 TDP1 (0.40) CYSLTR2CYSLTR1CNR1ACHECNR2
SCHEMBL7997987 0.97 TDP1 (0.40) CYSLTR2CYSLTR1CNR1ACHECNR2
SCHEMBL8583991 0.95 CYSLTR2 (0.40) CYSLTR2CYSLTR1CNR1ACHECNR2

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