SCHEMBL8800909

SCHEMBL8800909

OCC(c1ccc(OCc2cscn2)cc1)C1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 19/20 0.58
HDAC6 Q9UBN7 1/20 0.40
MEN1 O00255 1/20 0.37
MITF O75030 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL8968723 0.86 ALOX5 (0.54) ALOX5HDAC6MEN1MITFKMT2A
SCHEMBL8799902 0.79 ALOX5 (0.53) ALOX5HDAC6
SCHEMBL8800396 0.76 ALOX5 (0.58) ALOX5HDAC6
SCHEMBL8799350 0.76 ALOX5 (0.60) ALOX5HDAC6
SCHEMBL8967518 0.75 ALOX5 (0.59) ALOX5HDAC6
SCHEMBL8965348 0.75 ALOX5 (0.57) ALOX5HDAC6
SCHEMBL8799890 0.74 ALOX5 (0.70) ALOX5HDAC6
SCHEMBL8965126 0.74 ALOX5 (0.70) ALOX5HDAC6
SCHEMBL8800021 0.74 ALOX5 (0.58) ALOX5HDAC6
SCHEMBL8801122 0.73 ALOX5 (0.60) 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