SCHEMBL9539696

SCHEMBL9539696

NC(=O)N(O)CCOCc1ccoc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 11/20 0.60
SLC1A3 P43003 1/20 0.49
SLC1A2 P43004 1/20 0.49
SLC1A1 P43005 1/20 0.49
CETP P11597 1/20 0.38
MMP2 P08253 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.32
F2 P00734 2/20 0.32
ACACB O00763 1/20 0.32
DPP4 P27487 1/20 0.32

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
SCHEMBL9831466 0.80 ALOX5 (0.70) ALOX5SLC1A3SLC1A2SLC1A1CETP
SCHEMBL8805686 0.76 ALOX5 (1.00) ALOX5SLC1A3SLC1A2SLC1A1TRPM8
SCHEMBL9541349 0.73 SLC1A3 (0.50) ALOX5SLC1A3SLC1A2SLC1A1MMP2
SCHEMBL9542504 0.73 ALOX5 (0.60) ALOX5SLC1A3SLC1A2SLC1A1MMP2
SCHEMBL9538808 0.73 ALOX5 (0.56) ALOX5SLC1A3SLC1A2SLC1A1CETP
SCHEMBL14587482 0.71 ALOX5 (0.51) ALOX5SLC1A3SLC1A2SLC1A1CETP
SCHEMBL9542445 0.71 SLC1A3 (0.50) ALOX5SLC1A3SLC1A2SLC1A1MMP2
SCHEMBL9539825 0.70 ALOX5 (0.39) ALOX5MMP2TRPM8
SCHEMBL9539738 0.70 ALOX5 (0.61) ALOX5MMP2
SCHEMBL28449128 0.69 SLC1A3 (0.50) ALOX5SLC1A3SLC1A2SLC1A1CETP

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 3 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
WO-1993003719-A1 ARYLALKYLETHER AND ARYLALKYLTHIOETHER INHIBITORS OF LIPOXYGENASE ENZYME ACTIVITY ABBOTT LABORATORIES (US) 1993-03-04 WO disclosed
US-5183818-A Also for inhibiting leukotriene biosynthesis ABBOTT LABORATORIES (US) 1993-02-02 US disclosed