SCHEMBL9538825

SCHEMBL9538825

CN(C)C(=O)N(O)CCOCc1cccs1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
LTA4H P09960 2/20 0.40
TRPM8 Q7Z2W7 3/20 0.40
MAPK1 P28482 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
RIPK1 Q13546 1/20 0.38
TSHR P16473 3/20 0.37
ADAM17 P78536 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD11B1 P28845 2/20 0.36
CYP2C19 P33261 2/20 0.36
POLB P06746 2/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 1/20 0.35

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 0.86 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1LTA4HTRPM8
SCHEMBL9541331 0.84 TRPM8 (0.40) SLC1A3SLC1A2SLC1A1TRPM8NPC1
SCHEMBL9542445 0.83 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1TRPM8NPC1
SCHEMBL9584565 0.82 NPC1 (0.41) SLC1A3SLC1A2SLC1A1LTA4HTRPM8
SCHEMBL9541321 0.77 NPC1 (0.40) SLC1A3SLC1A2SLC1A1LTA4HTRPM8
SCHEMBL9538817 0.76 LMNA (0.48) SLC1A3SLC1A2SLC1A1NPC1RAB9A
SCHEMBL9585400 0.76 ALDH1A1 (0.39) SLC1A3SLC1A2SLC1A1TRPM8NPC1
SCHEMBL9539802 0.76 ALDH1A1 (0.53) NPC1RAB9ATSHRALDH1A1CYP2C19
SCHEMBL9541327 0.75 NPC1 (0.42) SLC1A3SLC1A2SLC1A1TRPM8MAPK1
SCHEMBL9584821 0.75 LMNA (0.53) NPC1RAB9APOLB

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