SCHEMBL9539835

SCHEMBL9539835

Cc1ccc(COC(C)CN(O)C(N)=O)s1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 11/20 0.43
RIPK1 Q13546 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL9539663 0.78 SLC1A3 (0.57) ALOX5ALDH1A1TRPM8SLC1A3SLC1A2
SCHEMBL9377438 0.76 ALOX5 (0.43) ALOX5RIPK1TRPM8
SCHEMBL9539758 0.76 ALOX5 (0.58) ALOX5
SCHEMBL9539825 0.75 ALOX5 (0.39) ALOX5RIPK1TRPM8
SCHEMBL9541385 0.75 ALOX5 (0.59) ALOX5ALDH1A1
SCHEMBL9373644 0.75 ALOX5 (0.51) ALOX5RIPK1TRPM8
SCHEMBL9539698 0.73 SLC1A3 (0.57) ALOX5ALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL9584897 0.73 ALOX5 (0.56) ALOX5ALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL9538808 0.73 ALOX5 (0.56) ALOX5TRPM8SLC1A3SLC1A2SLC1A1
SCHEMBL9373722 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
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