SCHEMBL9068707

SCHEMBL9068707

N=C(C1CCCCC1)C(c1ccc(OCc2ccc3ccccc3n2)cc1)C(O)CC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 19/20 0.61
HDAC6 Q9UBN7 1/20 0.59
CYSLTR2 Q9NS75 1/20 0.53
CYSLTR1 Q9Y271 1/20 0.53

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
SCHEMBL8965298 0.81 ALOX5 (0.60) ALOX5HDAC6CYSLTR2CYSLTR1
SCHEMBL8800737 0.81 ALOX5 (0.51) ALOX5HDAC6
SCHEMBL8801377 0.80 ALOX5 (0.50) ALOX5HDAC6
SCHEMBL8800310 0.77 ALOX5 (0.82) ALOX5HDAC6
SCHEMBL8800827 0.77 ALOX5 (0.82) ALOX5HDAC6
SCHEMBL3519488 0.77 GPBAR1 (0.68) ALOX5HDAC6CYSLTR2CYSLTR1
SCHEMBL8800840 0.77 FFAR1 (0.61) ALOX5CYSLTR2CYSLTR1
SCHEMBL7592907 0.76 GPBAR1 (0.67) ALOX5HDAC6CYSLTR2CYSLTR1
SCHEMBL7592890 0.76 GPBAR1 (0.67) ALOX5HDAC6CYSLTR2CYSLTR1
SCHEMBL2109295 0.76 ALOX5 (1.00) ALOX5HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0772594-A1 IMINOXYCARBOXYLATES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS Abbott Laboratories (US) 1997-05-14 EP claimed
WO-1996002507-A1 IMINOXYCARBOXYLATES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1996-02-01 WO claimed