SCHEMBL8890698

SCHEMBL8890698

O=C(O)C(Cc1ccc(OCc2ccc3ccccc3n2)cc1)=NO

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.65
FFAR1 O14842 1/20 0.64
AKR1B1 P15121 1/20 0.64
GPBAR1 Q8TDU6 2/20 0.62
CYSLTR1 Q9Y271 9/20 0.62
CYSLTR2 Q9NS75 7/20 0.60
PDE10A Q9Y233 2/20 0.54

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
SCHEMBL8890683 1.00 ALOX5 (0.65) ALOX5FFAR1AKR1B1GPBAR1CYSLTR1
SCHEMBL8890270 0.99 ALOX5 (0.64) ALOX5FFAR1AKR1B1GPBAR1CYSLTR1
SCHEMBL8890256 0.99 ALOX5 (0.64) ALOX5FFAR1AKR1B1GPBAR1CYSLTR1
SCHEMBL1419872 0.85 FFAR1 (0.77) ALOX5FFAR1AKR1B1GPBAR1CYSLTR1
SCHEMBL7594868 0.84 GPBAR1 (0.60) ALOX5FFAR1AKR1B1GPBAR1CYSLTR1
SCHEMBL7594851 0.84 GPBAR1 (0.60) ALOX5FFAR1AKR1B1GPBAR1CYSLTR1
SCHEMBL7594542 0.83 GPBAR1 (0.59) ALOX5FFAR1AKR1B1GPBAR1CYSLTR1
SCHEMBL7594522 0.83 GPBAR1 (0.59) ALOX5FFAR1AKR1B1GPBAR1CYSLTR1
SCHEMBL13772730 0.82 GPBAR1 (0.70) ALOX5FFAR1AKR1B1GPBAR1CYSLTR1
SCHEMBL1419915 0.82 ALOX5 (0.72) ALOX5FFAR1AKR1B1GPBAR1CYSLTR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997012866-A1 BIS-HETEROARYLYLMETHOXYPHENYLKETONE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1997-04-10 WO disclosed