SCHEMBL10411541

SCHEMBL10411541

O=C(O)COC(=O)Cc1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.67
AKR1B1 P15121 1/20 0.67
ALOX5 P09917 2/20 0.65
CYSLTR1 Q9Y271 11/20 0.64
CYSLTR2 Q9NS75 9/20 0.64
GPBAR1 Q8TDU6 2/20 0.62
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
SCHEMBL10410384 0.90 ALOX5 (0.61) FFAR1AKR1B1ALOX5CYSLTR1CYSLTR2
SCHEMBL10410351 0.89 ALOX5 (0.65) FFAR1AKR1B1ALOX5CYSLTR1CYSLTR2
SCHEMBL1419872 0.88 FFAR1 (0.77) FFAR1AKR1B1ALOX5CYSLTR1CYSLTR2
SCHEMBL1419751 0.87 CYSLTR1 (0.73) FFAR1AKR1B1ALOX5CYSLTR1CYSLTR2
SCHEMBL6088569 0.85 FFAR1 (0.73) FFAR1AKR1B1ALOX5CYSLTR1CYSLTR2
SCHEMBL8800199 0.84 ALOX5 (0.72) FFAR1AKR1B1ALOX5CYSLTR1CYSLTR2
SCHEMBL2167295 0.82 ALOX5 (0.55) FFAR1AKR1B1ALOX5CYSLTR1CYSLTR2
SCHEMBL13772730 0.82 GPBAR1 (0.70) FFAR1AKR1B1ALOX5CYSLTR1CYSLTR2
SCHEMBL1419915 0.82 ALOX5 (0.72) FFAR1AKR1B1ALOX5CYSLTR1CYSLTR2
SCHEMBL8902567 0.82 ALOX5 (0.72) FFAR1AKR1B1ALOX5CYSLTR1CYSLTR2

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
US-4929626-A α-substituted 4-(quinolin-2-yl-methoxy)phenylacetic acids and esters and lipoxygenase inhibition therewith BAYER AKTIENGESELLSCHAFT (DE) 1990-05-29 US disclosed