SCHEMBL8799856

SCHEMBL8799856

N=C(C(O)C(=O)O)C(CC1CCCCC1)c1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 20/20 0.65
HDAC6 Q9UBN7 1/20 0.63

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
SCHEMBL7752019 0.91 ALOX5 (0.71) ALOX5HDAC6
SCHEMBL9556595 0.90 ALOX5 (0.71) ALOX5HDAC6
SCHEMBL7751568 0.85 ALOX5 (0.67) ALOX5HDAC6
SCHEMBL8800310 0.85 ALOX5 (0.82) ALOX5HDAC6
SCHEMBL8800827 0.85 ALOX5 (0.82) ALOX5HDAC6
SCHEMBL9148914 0.84 ALOX5 (0.62) ALOX5HDAC6
SCHEMBL8800164 0.84 ALOX5 (0.81) ALOX5HDAC6
SCHEMBL9430813 0.84 ALOX5 (0.64) ALOX5HDAC6
SCHEMBL9556694 0.83 ALOX5 (0.63) ALOX5HDAC6
SCHEMBL9556500 0.79 ALOX5 (0.58) 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 3 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 disclosed
US-5512581-A ANTIINFLAMMATORY AGENT ABBOTT LABORATORIES (US) 1996-04-30 US disclosed
WO-1996002507-A1 IMINOXYCARBOXYLATES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1996-02-01 WO disclosed