SCHEMBL9542445

SCHEMBL9542445

NC(=O)N(O)CCOCc1cccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.50
SLC1A2 P43004 1/20 0.50
SLC1A1 P43005 1/20 0.50
POLB P06746 3/20 0.43
ALOX5 P09917 4/20 0.42
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.39
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 1/20 0.38
MMP2 P08253 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL9539688 0.85 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1POLBALDH1A1
SCHEMBL9538825 0.83 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1POLBALDH1A1
SCHEMBL9584565 0.82 NPC1 (0.41) SLC1A3SLC1A2SLC1A1POLBALDH1A1
SCHEMBL9373356 0.80 ALOX5 (0.50) SLC1A3SLC1A2SLC1A1POLBALOX5
SCHEMBL9538817 0.79 LMNA (0.48) SLC1A3SLC1A2SLC1A1POLBALDH1A1
SCHEMBL9585400 0.79 ALDH1A1 (0.39) SLC1A3SLC1A2SLC1A1POLBALDH1A1
SCHEMBL9538848 0.78 GAA (0.43) POLBALOX5ALDH1A1L3MBTL1MMP2
SCHEMBL9584821 0.77 LMNA (0.53) POLBALOX5SMN1; SMN2L3MBTL1NPC1
SCHEMBL9542504 0.77 ALOX5 (0.60) SLC1A3SLC1A2SLC1A1POLBALOX5
SCHEMBL9539704 0.76 ALOX5 (0.44) ALOX5MMP2

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