SCHEMBL8555093

SCHEMBL8555093

O=C(O)C=NOC(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1.[NaH]

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 17/20 0.71
GPBAR1 Q8TDU6 1/20 0.58
HDAC6 Q9UBN7 1/20 0.55
CYSLTR2 Q9NS75 1/20 0.55
CYSLTR1 Q9Y271 1/20 0.55

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
SCHEMBL8555241 0.99 ALOX5 (0.72) ALOX5GPBAR1HDAC6CYSLTR2CYSLTR1
SCHEMBL8552926 0.87 ALOX5 (0.55) ALOX5CYSLTR2CYSLTR1
SCHEMBL7594537 0.86 ALOX5 (0.72) ALOX5GPBAR1HDAC6CYSLTR2CYSLTR1
SCHEMBL8554150 0.86 ALOX5 (0.61) ALOX5GPBAR1CYSLTR2CYSLTR1
SCHEMBL8557403 0.85 ALOX5 (0.56) ALOX5CYSLTR2CYSLTR1
SCHEMBL7594855 0.85 ALOX5 (0.73) ALOX5GPBAR1HDAC6CYSLTR2CYSLTR1
SCHEMBL8557912 0.85 ALOX5 (0.55) ALOX5CYSLTR2CYSLTR1
SCHEMBL8890266 0.83 ALOX5 (0.67) ALOX5GPBAR1CYSLTR2CYSLTR1
SCHEMBL7599646 0.82 ALOX5 (0.65) ALOX5GPBAR1HDAC6
SCHEMBL8890694 0.81 ALOX5 (0.68) ALOX5GPBAR1CYSLTR2CYSLTR1

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