SCHEMBL8554150

SCHEMBL8554150

CCOC(=O)C=NOC(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 15/20 0.61
CYSLTR1 Q9Y271 2/20 0.57
CYSLTR2 Q9NS75 1/20 0.57
GPBAR1 Q8TDU6 1/20 0.51

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
SCHEMBL8554762 0.88 ALOX5 (0.48) ALOX5CYSLTR1CYSLTR2
SCHEMBL8555241 0.87 ALOX5 (0.72) ALOX5CYSLTR1CYSLTR2GPBAR1
SCHEMBL8555093 0.86 ALOX5 (0.71) ALOX5CYSLTR1CYSLTR2GPBAR1
SCHEMBL8892196 0.77 CYSLTR2 (0.50) ALOX5CYSLTR1CYSLTR2GPBAR1
SCHEMBL8554146 0.76 CYSLTR1 (0.59) ALOX5CYSLTR1CYSLTR2GPBAR1
SCHEMBL8554159 0.76 CYSLTR1 (0.59) ALOX5CYSLTR1CYSLTR2GPBAR1
SCHEMBL8688835 0.76 ALOX5 (0.54) ALOX5CYSLTR1CYSLTR2GPBAR1
SCHEMBL14021543 0.75 GPBAR1 (0.70) ALOX5CYSLTR1CYSLTR2GPBAR1
SCHEMBL8645769 0.75 CYSLTR1 (0.57) ALOX5CYSLTR1CYSLTR2GPBAR1
SCHEMBL8690534 0.75 ALOX5 (0.54) ALOX5CYSLTR1CYSLTR2GPBAR1

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-5714488-A FOR TREATMENT OF ALLERGIC AND INFLAMMATORY DISEASE STATES ABBOTT LABORATORIES (US) 1998-02-03 US disclosed