SCHEMBL9539698

SCHEMBL9539698

CC(CN(O)C(N)=O)OCc1ccsc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 4/20 0.57
SLC1A2 P43004 4/20 0.57
SLC1A1 P43005 4/20 0.57
ALOX5 P09917 6/20 0.43
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
OPRM1 P35372 3/20 0.34
OPRD1 P41143 3/20 0.34
OPRK1 P41145 3/20 0.34
MME P08473 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
DPP4 P27487 1/20 0.34

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
SCHEMBL9538808 0.76 ALOX5 (0.56) SLC1A3SLC1A2SLC1A1ALOX5PTGS1
SCHEMBL9539663 0.76 SLC1A3 (0.57) SLC1A3SLC1A2SLC1A1ALOX5CYP2C19
SCHEMBL9541349 0.73 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1ALOX5OPRM1
SCHEMBL9377194 0.73 ALOX5 (0.51) SLC1A3SLC1A2SLC1A1ALOX5
SCHEMBL9374441 0.73 ALOX5 (0.60) SLC1A3SLC1A2SLC1A1ALOX5DPP4
Potassium SCHEMBL9373808 0.71 ALOX5 (0.50) SLC1A3SLC1A2SLC1A1ALOX5
SCHEMBL8689056 0.71 SLC1A3 (0.53) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL9584897 0.70 ALOX5 (0.56) SLC1A3SLC1A2SLC1A1ALOX5MEN1
SCHEMBL9539758 0.70 ALOX5 (0.58) ALOX5
SCHEMBL9372981 0.70 ALOX5 (0.49) SLC1A3SLC1A2SLC1A1ALOX5DPP4

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