SCHEMBL9538808

SCHEMBL9538808

CC(CN(O)C(N)=O)OCc1ccoc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 11/20 0.56
SLC1A3 P43003 1/20 0.56
SLC1A2 P43004 1/20 0.56
SLC1A1 P43005 1/20 0.56
CETP P11597 1/20 0.39
ACACB O00763 2/20 0.37
TRPA1 O75762 1/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
F2 P00734 2/20 0.33
TRPM8 Q7Z2W7 1/20 0.33

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
SCHEMBL9539698 0.76 SLC1A3 (0.57) ALOX5SLC1A3SLC1A2SLC1A1PTGS1
SCHEMBL9584897 0.76 ALOX5 (0.56) ALOX5SLC1A3SLC1A2SLC1A1
SCHEMBL9541385 0.75 ALOX5 (0.59) ALOX5
SCHEMBL9539696 0.73 ALOX5 (0.60) ALOX5SLC1A3SLC1A2SLC1A1CETP
SCHEMBL9539835 0.73 ALOX5 (0.43) ALOX5SLC1A3SLC1A2SLC1A1TRPM8
SCHEMBL9539758 0.73 ALOX5 (0.58) ALOX5
SCHEMBL9539663 0.73 SLC1A3 (0.57) ALOX5SLC1A3SLC1A2SLC1A1TRPM8
SCHEMBL8805686 0.73 ALOX5 (1.00) ALOX5SLC1A3SLC1A2SLC1A1TRPM8
SCHEMBL1107005 0.70 SLC1A3 (0.50) ALOX5SLC1A3SLC1A2SLC1A1CETP
SCHEMBL9831466 0.70 ALOX5 (0.70) 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