SCHEMBL8891571

SCHEMBL8891571

OCC1CCC(c2ccc(OCc3ccc4ccccc4n3)cc2)(c2ccc(OCc3ccc4ccccc4n3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 6/20 0.57
ALOX5AP P20292 10/20 0.56
CYSLTR2 Q9NS75 5/20 0.54
GPBAR1 Q8TDU6 1/20 0.52
ALOX5 P09917 3/20 0.50
HDAC6 Q9UBN7 1/20 0.50
FFAR1 O14842 1/20 0.48
AKR1B1 P15121 1/20 0.48

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
SCHEMBL8922323 0.88 ALOX5AP (0.58) CYSLTR1ALOX5APCYSLTR2GPBAR1ALOX5
SCHEMBL8922287 0.84 CYSLTR2 (0.64) CYSLTR1ALOX5APCYSLTR2GPBAR1ALOX5
SCHEMBL8908571 0.84 ALOX5AP (0.56) CYSLTR1ALOX5APCYSLTR2GPBAR1ALOX5
SCHEMBL8925370 0.84 CYSLTR2 (0.63) CYSLTR1ALOX5APCYSLTR2GPBAR1ALOX5
SCHEMBL8925362 0.83 ALOX5AP (0.54) CYSLTR1ALOX5APCYSLTR2GPBAR1ALOX5
SCHEMBL8922290 0.81 ALOX5AP (0.53) CYSLTR1ALOX5APCYSLTR2GPBAR1ALOX5
SCHEMBL8900485 0.81 CYSLTR2 (0.62) CYSLTR1ALOX5APCYSLTR2GPBAR1ALOX5
SCHEMBL8925365 0.81 ALOX5AP (0.53) CYSLTR1ALOX5APCYSLTR2GPBAR1ALOX5
SCHEMBL8920223 0.81 CYSLTR2 (0.62) CYSLTR1ALOX5APCYSLTR2GPBAR1ALOX5
SCHEMBL8890897 0.80 CYSLTR1 (0.58) CYSLTR1ALOX5APCYSLTR2GPBAR1FFAR1

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