SCHEMBL9539688

SCHEMBL9539688

CC(=O)N(O)CCOCc1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
TRPM8 Q7Z2W7 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 3/20 0.39
POLB P06746 3/20 0.39
TSHR P16473 2/20 0.39
CASP6 P55212 1/20 0.39
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 2/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 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
SCHEMBL9538825 0.86 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1TRPM8NPC1
SCHEMBL9542445 0.85 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1TRPM8NPC1
SCHEMBL9584565 0.85 NPC1 (0.41) SLC1A3SLC1A2SLC1A1TRPM8NPC1
SCHEMBL9585400 0.79 ALDH1A1 (0.39) SLC1A3SLC1A2SLC1A1TRPM8NPC1
SCHEMBL9538817 0.79 LMNA (0.48) SLC1A3SLC1A2SLC1A1NPC1RAB9A
SCHEMBL9541331 0.79 TRPM8 (0.40) SLC1A3SLC1A2SLC1A1TRPM8NPC1
SCHEMBL9539802 0.79 ALDH1A1 (0.53) NPC1RAB9AALDH1A1POLBTSHR
SCHEMBL9541327 0.78 NPC1 (0.42) SLC1A3SLC1A2SLC1A1TRPM8NPC1
SCHEMBL9584821 0.77 LMNA (0.53) NPC1RAB9APOLBL3MBTL1HPGD
SCHEMBL9585067 0.77 MAPT (0.43) SLC1A3SLC1A2SLC1A1TRPM8NPC1

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 disclosed
US-5183818-A Also for inhibiting leukotriene biosynthesis ABBOTT LABORATORIES (US) 1993-02-02 US disclosed