SCHEMBL8923671

SCHEMBL8923671

O=C(O)C1CCCCC(c2ccc(OCc3ccc4ccccc4n3)cc2)(c2ccc(OCc3ccc4ccccc4n3)cc2)C1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 12/20 0.59
CYSLTR2 Q9NS75 4/20 0.59
CYSLTR1 Q9Y271 4/20 0.59
ALOX5 P09917 3/20 0.56
HDAC6 Q9UBN7 1/20 0.56
GPBAR1 Q8TDU6 1/20 0.54

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
SCHEMBL8900452 0.99 ALOX5AP (0.58) ALOX5APCYSLTR2CYSLTR1ALOX5HDAC6
SCHEMBL8922393 0.97 CYSLTR2 (0.60) ALOX5APCYSLTR2CYSLTR1ALOX5HDAC6
SCHEMBL8900485 0.93 CYSLTR2 (0.62) ALOX5APCYSLTR2CYSLTR1ALOX5HDAC6
SCHEMBL8920223 0.91 CYSLTR2 (0.62) ALOX5APCYSLTR2CYSLTR1ALOX5HDAC6
SCHEMBL8899507 0.89 CYSLTR1 (0.64) ALOX5APCYSLTR2CYSLTR1ALOX5HDAC6
SCHEMBL8922287 0.87 CYSLTR2 (0.64) ALOX5APCYSLTR2CYSLTR1ALOX5HDAC6
SCHEMBL8925370 0.86 CYSLTR2 (0.63) ALOX5APCYSLTR2CYSLTR1ALOX5HDAC6
SCHEMBL9374708 0.79 GPBAR1 (0.62) ALOX5APCYSLTR2CYSLTR1ALOX5HDAC6
SCHEMBL8925362 0.79 ALOX5AP (0.54) ALOX5APCYSLTR2CYSLTR1ALOX5HDAC6
SCHEMBL9474665 0.78 GPBAR1 (0.61) ALOX5APCYSLTR2CYSLTR1ALOX5HDAC6

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