SCHEMBL8902508

SCHEMBL8902508

CN1OC1(C(=O)O)C1CCC(c2ccc(OCc3cnc4ccccc4n3)cc2)(c2ccc(OCc3cnc4ccccc4n3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.42
ALOX5AP P20292 13/20 0.40
CYSLTR2 Q9NS75 2/20 0.39
CYSLTR1 Q9Y271 2/20 0.39
PDE10A Q9Y233 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37

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
SCHEMBL8894337 0.83 ALOX5 (0.48) ALOX5ALOX5AP
SCHEMBL8922390 0.82 ALOX5AP (0.41) ALOX5APCYSLTR2CYSLTR1
SCHEMBL8902007 0.81 CYSLTR2 (0.52) ALOX5ALOX5APCYSLTR2CYSLTR1HDAC6
SCHEMBL8922928 0.78 ALOX5 (0.46) ALOX5ALOX5APCYSLTR2CYSLTR1HDAC6
SCHEMBL8892197 0.78 ALOX5 (0.42) ALOX5ALOX5APCYSLTR2CYSLTR1HDAC6
SCHEMBL8922918 0.75 ALOX5 (0.57) ALOX5ALOX5APCYSLTR2CYSLTR1GPBAR1
SCHEMBL8557729 0.74 PDE10A (0.43) ALOX5ALOX5APCYSLTR2CYSLTR1PDE10A
SCHEMBL8922287 0.70 CYSLTR2 (0.64) ALOX5ALOX5APCYSLTR2CYSLTR1HDAC6
SCHEMBL8923072 0.70 CYSLTR2 (0.53) ALOX5ALOX5APCYSLTR2CYSLTR1HDAC6
SCHEMBL8925370 0.69 CYSLTR2 (0.63) ALOX5ALOX5APCYSLTR2CYSLTR1HDAC6

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-5691351-A Bis-(Heteroarylmethoxyphenyl)cycloalkyl carboxylates as inhibitors of leukotriene biosynthesis ABBOTT LABORATORIES (US) 1997-11-25 US disclosed
WO-1997029090-A1 BIS-(HETEROARYLMETHOXYPHENYL)CYCLOALKYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF LEUKOTRIENE BIOSYTHESIS ABBOTT LABORATORIES (US) 1997-08-14 WO disclosed