SCHEMBL8922928

SCHEMBL8922928

O=C(O)C(=NO)C1CCC(c2ccc(OCc3cnc4ccccc4n3)cc2)(c2ccc(OCc3cnc4ccccc4n3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.46
CYSLTR2 Q9NS75 3/20 0.43
CYSLTR1 Q9Y271 3/20 0.43
ALOX5AP P20292 6/20 0.40
GPBAR1 Q8TDU6 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL8902007 0.88 CYSLTR2 (0.52) ALOX5CYSLTR2CYSLTR1ALOX5APGPBAR1
SCHEMBL8922630 0.81 ALOX5AP (0.41) ALOX5CYSLTR2CYSLTR1ALOX5APGPBAR1
SCHEMBL8922584 0.81 ALOX5AP (0.41) ALOX5CYSLTR2CYSLTR1ALOX5APGPBAR1
SCHEMBL8922918 0.79 ALOX5 (0.57) ALOX5CYSLTR2CYSLTR1ALOX5APGPBAR1
SCHEMBL8902508 0.78 ALOX5 (0.42) ALOX5CYSLTR2CYSLTR1ALOX5APGPBAR1
SCHEMBL8892191 0.78 CYSLTR2 (0.52) ALOX5CYSLTR2CYSLTR1ALOX5APGPBAR1
SCHEMBL8892201 0.78 CYSLTR2 (0.52) ALOX5CYSLTR2CYSLTR1ALOX5APGPBAR1
SCHEMBL8925370 0.78 CYSLTR2 (0.63) ALOX5CYSLTR2CYSLTR1ALOX5APGPBAR1
SCHEMBL8922287 0.76 CYSLTR2 (0.64) ALOX5CYSLTR2CYSLTR1ALOX5APGPBAR1
SCHEMBL8892197 0.76 ALOX5 (0.42) ALOX5CYSLTR2CYSLTR1ALOX5APGPBAR1

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-5691351-A Bis-(Heteroarylmethoxyphenyl)cycloalkyl carboxylates as inhibitors of leukotriene biosynthesis ABBOTT LABORATORIES (US) 1997-11-25 US disclosed