SCHEMBL9541349

SCHEMBL9541349

NC(=O)N(O)CCOCc1ccsc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.50
SLC1A2 P43004 2/20 0.50
SLC1A1 P43005 2/20 0.50
ALOX5 P09917 5/20 0.43
MMP2 P08253 1/20 0.38
LTA4H P09960 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
ESR2 Q92731 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP3 Q9Y6F1 1/20 0.33
DPP4 P27487 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
SCHEMBL9372981 0.80 ALOX5 (0.49) SLC1A3SLC1A2SLC1A1ALOX5TAAR1
SCHEMBL9373218 0.77 ALOX5 (0.47) SLC1A3SLC1A2SLC1A1ALOX5LTA4H
SCHEMBL9377194 0.76 ALOX5 (0.51) SLC1A3SLC1A2SLC1A1ALOX5TAAR1
Potassium SCHEMBL9373808 0.74 ALOX5 (0.50) SLC1A3SLC1A2SLC1A1ALOX5TAAR1
SCHEMBL9542445 0.73 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1ALOX5MMP2
SCHEMBL9539696 0.73 ALOX5 (0.60) SLC1A3SLC1A2SLC1A1ALOX5MMP2
SCHEMBL9539698 0.73 SLC1A3 (0.57) SLC1A3SLC1A2SLC1A1ALOX5OPRM1
SCHEMBL20912421 0.73 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1LTA4HTAAR1
SCHEMBL8905224 0.73 SLC1A3 (0.44) SLC1A3SLC1A2SLC1A1LTA4HTAAR1
SCHEMBL8689058 0.72 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1LTA4HTAAR1

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