SCHEMBL7604022

SCHEMBL7604022

O=C(O)C(c1ccc(OCc2ccc3cc(F)ccc3n2)cc1)c1ccc(OCc2ccc3cc(F)ccc3n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.57
CYSLTR2 Q9NS75 5/20 0.49
CYSLTR1 Q9Y271 5/20 0.49
HDAC6 Q9UBN7 1/20 0.49
GPBAR1 Q8TDU6 1/20 0.48
PDE10A Q9Y233 4/20 0.48
PDE4A P27815 3/20 0.48
PDE4B Q07343 3/20 0.48
PDE3B Q13370 2/20 0.47
PDE3A Q14432 2/20 0.47
ALOX5AP P20292 1/20 0.45
FFAR1 O14842 1/20 0.45
AKR1B1 P15121 1/20 0.45
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44

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
SCHEMBL8557903 0.87 ALOX5 (0.56) ALOX5CYSLTR2CYSLTR1HDAC6GPBAR1
SCHEMBL8557925 0.87 ALOX5 (0.56) ALOX5CYSLTR2CYSLTR1HDAC6GPBAR1
SCHEMBL8669638 0.85 ALOX5 (0.54) ALOX5CYSLTR2CYSLTR1HDAC6GPBAR1
SCHEMBL9556749 0.83 ALOX5 (0.74) ALOX5HDAC6ALOX5AP
SCHEMBL7603712 0.83 GPBAR1 (0.70) ALOX5CYSLTR2CYSLTR1HDAC6GPBAR1
SCHEMBL2566640 0.81 CYSLTR2 (0.56) ALOX5CYSLTR2CYSLTR1GPBAR1PDE10A
SCHEMBL8557912 0.81 ALOX5 (0.55) ALOX5CYSLTR2CYSLTR1
SCHEMBL2564677 0.78 PDE10A (0.54) ALOX5CYSLTR2CYSLTR1PDE10APDE4A
SCHEMBL2566437 0.77 CYSLTR2 (0.53) ALOX5CYSLTR2CYSLTR1GPBAR1PDE10A
SCHEMBL8669643 0.77 CYSLTR1 (0.72) ALOX5CYSLTR2CYSLTR1FFAR1AKR1B1

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