SCHEMBL8800932

SCHEMBL8800932

c1nc(COc2ccc(CCC3CCCCC3)cc2)cs1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
LTA4H P09960 2/20 0.43
HRH3 Q9Y5N1 2/20 0.40
NFE2L2 Q16236 1/20 0.40
MMP13 P45452 1/20 0.37
MMP14 P50281 1/20 0.37
HPGD P15428 2/20 0.36
CACNA1B Q00975 1/20 0.36
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL8799338 0.78 ALOX5 (0.52) ALOX5MMP13MMP14HPGDCACNA1B
SCHEMBL8799902 0.77 ALOX5 (0.53) ALOX5LTA4HHRH3MMP13MMP14
SCHEMBL8800909 0.72 ALOX5 (0.58) ALOX5
SCHEMBL8799334 0.71 ALOX5 (0.46) ALOX5MMP13MMP14CACNA1B
SCHEMBL8968723 0.70 ALOX5 (0.54) ALOX5LTA4HMMP13MMP14
SCHEMBL4088281 0.70 SLC6A3 (0.47) ALOX5LTA4H
SCHEMBL17760501 0.69 SCN9A (0.37) ALOX5LTA4HHRH3
SCHEMBL18038881 0.69 KDM4C (0.42) ALOX5LTA4HHPGD
SCHEMBL1928819 0.68 ALOX5 (0.47) ALOX5LTA4H
SCHEMBL386638 0.67 MAOB (0.55) ALOX5

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