SCHEMBL8645017

SCHEMBL8645017

Clc1ccc(CCCCc2ccc(OCc3ccc4ccccc4n3)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 10/20 0.70
CYSLTR2 Q9NS75 7/20 0.70
ALOX5AP P20292 2/20 0.64
ALOX5 P09917 2/20 0.64
FFAR1 O14842 1/20 0.64
AKR1B1 P15121 1/20 0.64
PDE10A Q9Y233 3/20 0.58
GPBAR1 Q8TDU6 1/20 0.55

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
SCHEMBL10446560 0.91 CYSLTR1 (0.79) CYSLTR1CYSLTR2ALOX5APALOX5FFAR1
SCHEMBL10690965 0.90 CYSLTR1 (0.76) CYSLTR1CYSLTR2ALOX5APALOX5FFAR1
SCHEMBL8645015 0.89 CYSLTR1 (0.57) CYSLTR1CYSLTR2ALOX5APALOX5FFAR1
SCHEMBL9150476 0.88 CYSLTR1 (0.72) CYSLTR1CYSLTR2ALOX5APALOX5FFAR1
SCHEMBL10446852 0.88 CYSLTR1 (0.75) CYSLTR1CYSLTR2ALOX5APALOX5FFAR1
SCHEMBL8799848 0.88 ALOX5 (0.70) CYSLTR1CYSLTR2ALOX5APALOX5FFAR1
SCHEMBL9459951 0.87 CYSLTR1 (0.67) CYSLTR1CYSLTR2ALOX5APALOX5FFAR1
Ammonia Solution, Strong SCHEMBL9585183 0.86 CYSLTR1 (0.69) CYSLTR1CYSLTR2ALOX5FFAR1AKR1B1
SCHEMBL8666314 0.86 CYSLTR1 (0.72) CYSLTR1CYSLTR2ALOX5FFAR1AKR1B1
SCHEMBL10638887 0.86 CYSLTR1 (0.69) CYSLTR1CYSLTR2ALOX5FFAR1AKR1B1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5783586-A Heteroarylmethoxyphenylthioalkyl carboxylates as inhibitors of leukotriene biosynthesis ABBOTT LABORATORIES (US) 1998-07-21 US disclosed
EP-0772594-A1 IMINOXYCARBOXYLATES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS Abbott Laboratories (US) 1997-05-14 EP disclosed
WO-1996002507-A1 IMINOXYCARBOXYLATES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1996-02-01 WO disclosed