SCHEMBL7592907

SCHEMBL7592907

O=C(O)CC(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1.[Na]

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.67
CYSLTR1 Q9Y271 9/20 0.66
CYSLTR2 Q9NS75 7/20 0.66
FFAR1 O14842 1/20 0.65
AKR1B1 P15121 1/20 0.65
ALOX5 P09917 3/20 0.62
HDAC6 Q9UBN7 1/20 0.62
PDE10A Q9Y233 2/20 0.57

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
SCHEMBL3519488 0.99 GPBAR1 (0.68) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL7592890 0.97 GPBAR1 (0.67) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL8651391 0.89 GPBAR1 (0.65) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL7592897 0.88 GPBAR1 (0.64) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL7594542 0.86 GPBAR1 (0.59) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL8651401 0.86 CYSLTR1 (0.65) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL7594851 0.85 GPBAR1 (0.60) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL7594868 0.85 GPBAR1 (0.60) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL7603712 0.85 GPBAR1 (0.70) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL7594522 0.84 GPBAR1 (0.59) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1

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