SCHEMBL8902007

SCHEMBL8902007

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

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 5/20 0.52
CYSLTR1 Q9Y271 5/20 0.52
ALOX5 P09917 4/20 0.48
ALOX5AP P20292 9/20 0.43
GPBAR1 Q8TDU6 1/20 0.43
HDAC6 Q9UBN7 1/20 0.42
FFAR1 O14842 1/20 0.40
AKR1B1 P15121 1/20 0.40

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
SCHEMBL8922287 0.88 CYSLTR2 (0.64) CYSLTR2CYSLTR1ALOX5ALOX5APGPBAR1
SCHEMBL8922928 0.88 ALOX5 (0.46) CYSLTR2CYSLTR1ALOX5ALOX5APGPBAR1
SCHEMBL8925370 0.87 CYSLTR2 (0.63) CYSLTR2CYSLTR1ALOX5ALOX5APGPBAR1
SCHEMBL8922918 0.82 ALOX5 (0.57) CYSLTR2CYSLTR1ALOX5ALOX5APGPBAR1
SCHEMBL8900485 0.82 CYSLTR2 (0.62) CYSLTR2CYSLTR1ALOX5ALOX5APGPBAR1
SCHEMBL8920223 0.82 CYSLTR2 (0.62) CYSLTR2CYSLTR1ALOX5ALOX5APGPBAR1
SCHEMBL8902508 0.81 ALOX5 (0.42) CYSLTR2CYSLTR1ALOX5ALOX5APGPBAR1
SCHEMBL8892197 0.81 ALOX5 (0.42) CYSLTR2CYSLTR1ALOX5ALOX5APGPBAR1
SCHEMBL8921057 0.80 NPC1 (0.57) ALOX5ALOX5AP
SCHEMBL8892343 0.79 CYSLTR2 (0.48) CYSLTR2CYSLTR1ALOX5ALOX5APGPBAR1

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