SCHEMBL7595258

SCHEMBL7595258

CC(CCC(=O)O)(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1.[MgH2]

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 10/20 0.66
CYSLTR2 Q9NS75 8/20 0.66
FFAR1 O14842 1/20 0.65
AKR1B1 P15121 1/20 0.65
GPBAR1 Q8TDU6 2/20 0.60
ALOX5AP P20292 2/20 0.55
PDE10A Q9Y233 2/20 0.54
ALOX5 P09917 2/20 0.54

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
SCHEMBL30538032 0.99 CYSLTR1 (0.67) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL6440668 0.99 CYSLTR1 (0.67) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL3048640 0.98 CYSLTR1 (0.66) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL3048632 0.98 CYSLTR1 (0.66) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL7594231 0.92 CYSLTR1 (0.71) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL8311452 0.92 FFAR1 (0.64) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL7597409 0.91 CYSLTR1 (0.70) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL7597420 0.91 CYSLTR1 (0.70) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL8451432 0.91 FFAR1 (0.62) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL8451447 0.91 FFAR1 (0.62) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0862557-B1 SYMMETRICAL bis-HETEROARYLMETHOXYPHENYLALKYL CARBOXYLATES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LAB (US) 2002-11-27 EP claimed
US-5795900-A Symmetrical bis-heteroaryl-methoxy-phenylalkyl carboxylates as inhibitors of leukotriene biosynthesis ABBOTT LABORATORIES (US) 1998-08-18 US claimed
EP-0862557-B1 SYMMETRICAL bis-HETEROARYLMETHOXYPHENYLALKYL CARBOXYLATES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LAB (US) 2002-11-27 EP disclosed
US-5843968-A Symmetrical bis-heteroarylmethoxy-phenylalkyl carboxylates as inhibitors of leukotriene biosynthesis ABBOTT LABORATORIES (US) 1998-12-01 US disclosed
US-5795900-A Symmetrical bis-heteroaryl-methoxy-phenylalkyl carboxylates as inhibitors of leukotriene biosynthesis ABBOTT LABORATORIES (US) 1998-08-18 US disclosed