SCHEMBL8922393

SCHEMBL8922393

O=C(O)C1CCCC(c2ccc(OCc3ccc4ccccc4n3)cc2)(c2ccc(OCc3ccc4ccccc4n3)cc2)C1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 4/20 0.60
CYSLTR1 Q9Y271 4/20 0.60
ALOX5AP P20292 12/20 0.57
ALOX5 P09917 3/20 0.55
HDAC6 Q9UBN7 1/20 0.55
GPBAR1 Q8TDU6 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
SCHEMBL8923671 0.97 ALOX5AP (0.59) CYSLTR2CYSLTR1ALOX5APALOX5HDAC6
SCHEMBL8900452 0.96 ALOX5AP (0.58) CYSLTR2CYSLTR1ALOX5APALOX5HDAC6
SCHEMBL8900485 0.94 CYSLTR2 (0.62) CYSLTR2CYSLTR1ALOX5APALOX5HDAC6
SCHEMBL8920223 0.94 CYSLTR2 (0.62) CYSLTR2CYSLTR1ALOX5APALOX5HDAC6
SCHEMBL8899507 0.90 CYSLTR1 (0.64) CYSLTR2CYSLTR1ALOX5APALOX5HDAC6
SCHEMBL8922287 0.88 CYSLTR2 (0.64) CYSLTR2CYSLTR1ALOX5APALOX5HDAC6
SCHEMBL8925370 0.87 CYSLTR2 (0.63) CYSLTR2CYSLTR1ALOX5APALOX5HDAC6
SCHEMBL8925362 0.80 ALOX5AP (0.54) CYSLTR2CYSLTR1ALOX5APALOX5HDAC6
SCHEMBL8922323 0.79 ALOX5AP (0.58) CYSLTR2CYSLTR1ALOX5APALOX5HDAC6
SCHEMBL8923072 0.78 CYSLTR2 (0.53) CYSLTR2CYSLTR1ALOX5APALOX5HDAC6

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