SCHEMBL31490409

SCHEMBL31490409

CCN(CCS(C)(=O)=O)C(=O)/C=C/c1ccc(C)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 5/20 0.54
NPC1 O15118 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
RAB9A P51151 2/20 0.50
APP P05067 2/20 0.50
KMT2A Q03164 1/20 0.44
FOS P01100 1/20 0.43
JUN P05412 1/20 0.43
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
MAPT P10636 1/20 0.42
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
PTGS2 P35354 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
BCHE P06276 1/20 0.39
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL31490430 0.86 PTGS2 (0.56) TRPM8NPC1L3MBTL1RAB9AKMT2A
SCHEMBL28501196 0.84 NPC1 (0.72) TRPM8NPC1L3MBTL1RAB9AAPP
SCHEMBL22187006 0.80 TRPM8 (0.55) TRPM8NPC1L3MBTL1RAB9AAPP
SCHEMBL20777300 0.80 TRPM8 (0.55) TRPM8NPC1L3MBTL1RAB9AAPP
SCHEMBL31490472 0.79 TRPM8 (0.60) TRPM8NPC1L3MBTL1RAB9AKMT2A
SCHEMBL31490310 0.78 TRPM8 (0.76) TRPM8NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL22074363 0.77 TRPM8 (0.53) TRPM8NPC1L3MBTL1RAB9AAPP
SCHEMBL20773115 0.77 TRPM8 (0.53) TRPM8NPC1L3MBTL1RAB9AAPP
SCHEMBL29779971 0.77 TRPM8 (0.53) TRPM8NPC1L3MBTL1RAB9AAPP
SCHEMBL22074377 0.74 TRPM8 (0.55) TRPM8NPC1L3MBTL1RAB9AAPP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119486725-A (2E) Mixtures and uses of (E) -3- (1, 3-benzodioxol-5-yl) -N-phenyl-N- (tetrahydro-3-furanyl) -2-propenamide 西姆莱斯有限公司 2025-02-18 CN disclosed