SCHEMBL9541331

SCHEMBL9541331

CCOC(=O)N(C)C(=O)N(O)CCOCc1cccs1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 7/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.37
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
RIPK1 Q13546 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL9541321 0.85 NPC1 (0.40) TRPM8NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL9538825 0.84 SLC1A3 (0.42) TRPM8NPC1RAB9ASLC1A3SLC1A2
SCHEMBL9539688 0.79 SLC1A3 (0.43) TRPM8NPC1RAB9ASMN1; SMN2SLC1A3
SCHEMBL9542445 0.76 SLC1A3 (0.50) TRPM8NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL9584565 0.75 NPC1 (0.41) TRPM8NPC1RAB9ALMNASLC1A3
SCHEMBL9541327 0.74 NPC1 (0.42) TRPM8NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL9539802 0.72 ALDH1A1 (0.53) NPC1RAB9ASMN1; SMN2LMNACTDSP1
SCHEMBL12539047 0.71 HSD11B1 (0.52) TRPM8SMN1; SMN2HSD17B10LMNARIPK1
SCHEMBL9538817 0.70 LMNA (0.48) NPC1RAB9ASMN1; SMN2LMNASLC1A3
SCHEMBL9585400 0.70 ALDH1A1 (0.39) TRPM8NPC1RAB9ASMN1; SMN2HSD17B10

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