SCHEMBL8801273

SCHEMBL8801273

CC(=O)N(O)O[N]C(c1ccc(OCc2nc3ccccc3o2)cc1)C1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 19/20 0.59
PDE10A Q9Y233 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL8801591 0.83 ALOX5 (0.62) ALOX5HDAC6
SCHEMBL8801751 0.83 ALOX5 (0.62) ALOX5HDAC6
SCHEMBL8801764 0.82 ALOX5 (0.62) ALOX5HDAC6
SCHEMBL8800980 0.81 ALOX5 (0.62) ALOX5
SCHEMBL8803948 0.78 ALOX5 (0.58) ALOX5PDE10AHDAC6
SCHEMBL8801122 0.76 ALOX5 (0.60) ALOX5
SCHEMBL8799938 0.74 ALOX5 (0.62) ALOX5HDAC6
SCHEMBL8965337 0.73 ALOX5 (0.61) ALOX5PDE10AHDAC6
SCHEMBL9428765 0.72 ALOX5 (0.49) ALOX5PDE10A
SCHEMBL9472475 0.68 ALOX5 (0.58) ALOX5PDE10A

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 disclosed
WO-1996002507-A1 IMINOXYCARBOXYLATES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1996-02-01 WO disclosed