SCHEMBL7594522

SCHEMBL7594522

O=C(O)/C(CC(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1)=N\O.[NaH]

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.59
ALOX5 P09917 13/20 0.56
HDAC6 Q9UBN7 1/20 0.56
CYSLTR2 Q9NS75 3/20 0.56
CYSLTR1 Q9Y271 3/20 0.56
FFAR1 O14842 1/20 0.55
AKR1B1 P15121 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
SCHEMBL7594868 0.99 GPBAR1 (0.60) GPBAR1ALOX5HDAC6CYSLTR2CYSLTR1
SCHEMBL7594851 0.99 GPBAR1 (0.60) GPBAR1ALOX5HDAC6CYSLTR2CYSLTR1
SCHEMBL7594542 0.98 GPBAR1 (0.59) GPBAR1ALOX5HDAC6CYSLTR2CYSLTR1
SCHEMBL7592890 0.86 GPBAR1 (0.67) GPBAR1ALOX5HDAC6CYSLTR2CYSLTR1
SCHEMBL3519488 0.85 GPBAR1 (0.68) GPBAR1ALOX5HDAC6CYSLTR2CYSLTR1
SCHEMBL8690548 0.85 ALOX5 (0.55) GPBAR1ALOX5HDAC6CYSLTR2CYSLTR1
SCHEMBL7599636 0.85 ALOX5 (0.55) GPBAR1ALOX5HDAC6CYSLTR2CYSLTR1
SCHEMBL8890256 0.84 ALOX5 (0.64) GPBAR1ALOX5CYSLTR2CYSLTR1FFAR1
SCHEMBL7592907 0.84 GPBAR1 (0.67) GPBAR1ALOX5HDAC6CYSLTR2CYSLTR1
SCHEMBL8555687 0.83 GPBAR1 (0.60) GPBAR1ALOX5HDAC6CYSLTR2CYSLTR1

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 4 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