SCHEMBL9539758

SCHEMBL9539758

Cc1ccc(COC(C)CN(O)C(N)=O)o1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 14/20 0.58
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
ESR2 Q92731 1/20 0.33
AR P10275 2/20 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
SCHEMBL9539727 0.87 ALOX5 (0.56) ALOX5KDM4EMAPTESR2
SCHEMBL9584897 0.78 ALOX5 (0.56) ALOX5MAPT
SCHEMBL9539718 0.77 ALOX5 (0.59) ALOX5KDM4EMAPT
SCHEMBL9584855 0.77 ALOX5 (0.52) ALOX5KDM4EMAPT
SCHEMBL9539835 0.76 ALOX5 (0.43) ALOX5
SCHEMBL9539738 0.75 ALOX5 (0.61) ALOX5MAPT
SCHEMBL9541385 0.75 ALOX5 (0.59) ALOX5MAPT
SCHEMBL8809759 0.75 ALOX5 (1.00) ALOX5
SCHEMBL9539663 0.73 SLC1A3 (0.57) ALOX5
SCHEMBL9538808 0.73 ALOX5 (0.56) 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 claimed
US-5183818-A Also for inhibiting leukotriene biosynthesis ABBOTT LABORATORIES (US) 1993-02-02 US disclosed