SCHEMBL9539795

SCHEMBL9539795

Cc1ccc(C(C)OCCN(O)C(N)=O)o1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 18/20 0.52
MMP2 P08253 1/20 0.36
IARS1 P41252 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
SCHEMBL9584855 0.78 ALOX5 (0.52) ALOX5
SCHEMBL9539738 0.73 ALOX5 (0.61) ALOX5MMP2
SCHEMBL9542469 0.72 ALOX5 (0.60) ALOX5MMP2
SCHEMBL9832426 0.70 ALOX5 (0.71) ALOX5
SCHEMBL9539727 0.69 ALOX5 (0.56) ALOX5
SCHEMBL8807791 0.69 ALOX5 (1.00) ALOX5
SCHEMBL9539758 0.69 ALOX5 (0.58) ALOX5
SCHEMBL8806921 0.68 ALOX5 (0.97) ALOX5
Ammonia Solution, Strong SCHEMBL8807165 0.68 ALOX5 (0.97) ALOX5
SCHEMBL24892070 0.68 TDP1 (0.40) 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