SCHEMBL7595077

SCHEMBL7595077

CC(CC(=N)CC(O)CC(=O)O)(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 7/20 0.52
CYSLTR1 Q9Y271 7/20 0.52
GPBAR1 Q8TDU6 2/20 0.52
FFAR1 O14842 1/20 0.51
AKR1B1 P15121 1/20 0.51
PDE10A Q9Y233 2/20 0.50
ALOX5 P09917 3/20 0.47
ALOX5AP P20292 2/20 0.47

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
SCHEMBL7594514 0.91 ALOX5AP (0.48) CYSLTR2CYSLTR1GPBAR1FFAR1AKR1B1
SCHEMBL7596636 0.86 ALOX5 (0.44) CYSLTR2CYSLTR1GPBAR1ALOX5ALOX5AP
SCHEMBL7592902 0.85 GPBAR1 (0.64) CYSLTR2CYSLTR1GPBAR1FFAR1AKR1B1
SCHEMBL8800289 0.83 FFAR1 (0.53) CYSLTR2CYSLTR1GPBAR1FFAR1AKR1B1
SCHEMBL8688436 0.82 CYSLTR1 (0.59) CYSLTR2CYSLTR1GPBAR1FFAR1AKR1B1
SCHEMBL8645138 0.80 GPBAR1 (0.59) CYSLTR2CYSLTR1GPBAR1FFAR1AKR1B1
SCHEMBL8799828 0.79 CYSLTR2 (0.52) CYSLTR2CYSLTR1GPBAR1FFAR1AKR1B1
SCHEMBL7592647 0.79 GPBAR1 (0.54) CYSLTR2CYSLTR1GPBAR1FFAR1AKR1B1
SCHEMBL30538032 0.79 CYSLTR1 (0.67) CYSLTR2CYSLTR1GPBAR1FFAR1AKR1B1
SCHEMBL6440668 0.79 CYSLTR1 (0.67) CYSLTR2CYSLTR1GPBAR1FFAR1AKR1B1

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
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