SCHEMBL8557412

SCHEMBL8557412

O=C(O)C(=NO)C(c1ccc(OCc2ccc3ccc(Cl)cc3n2)cc1)c1ccc(OCc2ccc3ccc(Cl)cc3n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.44
ALOX5AP P20292 1/20 0.44
GPBAR1 Q8TDU6 1/20 0.44
CYSLTR2 Q9NS75 2/20 0.44
CYSLTR1 Q9Y271 2/20 0.44
HDAC6 Q9UBN7 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42

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
SCHEMBL8557396 1.00 ALOX5 (0.44) ALOX5ALOX5APGPBAR1CYSLTR2CYSLTR1
SCHEMBL8552934 0.99 ALOX5 (0.44) ALOX5ALOX5APGPBAR1CYSLTR2CYSLTR1
SCHEMBL8552913 0.99 ALOX5 (0.44) ALOX5ALOX5APGPBAR1CYSLTR2CYSLTR1
SCHEMBL8554759 0.87 CYSLTR2 (0.44) ALOX5ALOX5APCYSLTR2CYSLTR1
SCHEMBL8554770 0.87 CYSLTR2 (0.44) ALOX5ALOX5APCYSLTR2CYSLTR1
SCHEMBL8555246 0.86 GPBAR1 (0.61) ALOX5GPBAR1CYSLTR2CYSLTR1HDAC6
SCHEMBL8554925 0.86 GPBAR1 (0.61) ALOX5GPBAR1CYSLTR2CYSLTR1HDAC6
SCHEMBL8555104 0.85 GPBAR1 (0.60) ALOX5GPBAR1CYSLTR2CYSLTR1HDAC6
SCHEMBL8555687 0.85 GPBAR1 (0.60) ALOX5GPBAR1CYSLTR2CYSLTR1HDAC6
SCHEMBL8557903 0.82 ALOX5 (0.56) ALOX5ALOX5APGPBAR1CYSLTR2CYSLTR1

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