SCHEMBL8922323

SCHEMBL8922323

OC1CCC(c2ccc(OCc3ccc4ccccc4n3)cc2)(c2ccc(OCc3ccc4ccccc4n3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 10/20 0.58
CYSLTR1 Q9Y271 4/20 0.57
CYSLTR2 Q9NS75 3/20 0.57
GPBAR1 Q8TDU6 1/20 0.54
ALOX5 P09917 2/20 0.52
HDAC6 Q9UBN7 1/20 0.52
FFAR1 O14842 1/20 0.50
AKR1B1 P15121 1/20 0.50
PDE10A Q9Y233 1/20 0.50

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
SCHEMBL8891571 0.88 CYSLTR1 (0.57) ALOX5APCYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL8922287 0.86 CYSLTR2 (0.64) ALOX5APCYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL8908571 0.86 ALOX5AP (0.56) ALOX5APCYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL8925370 0.85 CYSLTR2 (0.63) ALOX5APCYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL8925362 0.85 ALOX5AP (0.54) ALOX5APCYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL8922290 0.83 ALOX5AP (0.53) ALOX5APCYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL8900485 0.82 CYSLTR2 (0.62) ALOX5APCYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL8920223 0.82 CYSLTR2 (0.62) ALOX5APCYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL8925365 0.82 ALOX5AP (0.53) ALOX5APCYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL8890897 0.82 CYSLTR1 (0.58) ALOX5APCYSLTR1CYSLTR2GPBAR1FFAR1

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