SCHEMBL8801528

SCHEMBL8801528

O=C(O)C1ON1C(CC1CCCCC1)c1ccc(OCc2cscn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.51
REN P00797 7/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CACNA1B Q00975 1/20 0.35
FFAR1 O14842 1/20 0.34
LTA4H P09960 1/20 0.34

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
SCHEMBL8800018 0.99 ALOX5 (0.50) ALOX5RENHDAC6CACNA1BLTA4H
SCHEMBL8800396 0.85 ALOX5 (0.58) ALOX5HDAC6
SCHEMBL8801740 0.81 ALOX5 (0.61) ALOX5HDAC6
SCHEMBL8799902 0.78 ALOX5 (0.53) ALOX5RENHDAC6CACNA1BLTA4H
SCHEMBL8965181 0.77 ALOX5 (0.51) ALOX5RENHDAC6CACNA1BFFAR1
Hydroxyamine SCHEMBL8801279 0.76 ALOX5 (0.43) ALOX5RENLTA4H
SCHEMBL8965166 0.76 ALOX5 (0.49) ALOX5RENHDAC6CACNA1BFFAR1
SCHEMBL8799338 0.73 ALOX5 (0.52) ALOX5CACNA1B
SCHEMBL8966886 0.73 ALOX5 (0.53) ALOX5RENCACNA1BFFAR1
SCHEMBL8965350 0.71 ALOX5 (0.53) ALOX5FFAR1

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