SCHEMBL9539704

SCHEMBL9539704

NC(=O)N(O)CCOCc1cc2ccsc2s1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.44
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
MMP2 P08253 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
SCHEMBL9538848 0.82 GAA (0.43) ALOX5HDAC3HDAC4HDAC1HDAC7
SCHEMBL9542499 0.80 AGXT (0.52) ALOX5HDAC3HDAC4HDAC1HDAC7
SCHEMBL9542445 0.76 SLC1A3 (0.50) ALOX5MMP2
SCHEMBL9539825 0.72 ALOX5 (0.39) ALOX5MMP2
SCHEMBL9584912 0.69 CYP2E1 (0.45) ALOX5HDAC3HDAC1HDAC2HDAC8
SCHEMBL9584641 0.68 MMP2 (0.37) ALOX5MMP2
SCHEMBL9542504 0.68 ALOX5 (0.60) ALOX5MMP2
SCHEMBL9541349 0.68 SLC1A3 (0.50) ALOX5MMP2
SCHEMBL9539740 0.68 MMP2 (0.39) ALOX5MMP2
SCHEMBL9585929 0.68 ALOX5 (0.41) ALOX5MMP2

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
WO-1993003719-A1 ARYLALKYLETHER AND ARYLALKYLTHIOETHER INHIBITORS OF LIPOXYGENASE ENZYME ACTIVITY ABBOTT LABORATORIES (US) 1993-03-04 WO claimed
US-5183818-A Also for inhibiting leukotriene biosynthesis ABBOTT LABORATORIES (US) 1993-02-02 US disclosed