Rel-Isomenthone

Rel-Isomenthone

SCHEMBL30797355

CC(C)[C@H]1CC[C@@H](C)CC1=O

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.37
NPC1 O15118 2/20 0.37
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
CRBN Q96SW2 1/20 0.31
PIK3CD O00329 1/20 0.31
TRPA1 O75762 2/20 0.30
TRPM8 Q7Z2W7 2/20 0.30

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
Menthone SCHEMBL6128521 1.00 TLR4 (0.39) TLR4L3MBTL1NPC1MAPTRAB9A
Menthone SCHEMBL31264956 1.00 TLR4 (0.39) TLR4L3MBTL1NPC1MAPTRAB9A
Rel-Menthone SCHEMBL1868327 1.00 TLR4 (0.39) TLR4L3MBTL1NPC1MAPTRAB9A
Rel-Isomenthone SCHEMBL650578 1.00 TLR4 (0.39) TLR4L3MBTL1NPC1MAPTRAB9A
Menthone SCHEMBL13255148 1.00 TLR4 (0.39) TLR4L3MBTL1NPC1MAPTRAB9A
Menthone SCHEMBL21709 1.00 TLR4 (0.39) TLR4L3MBTL1NPC1MAPTRAB9A
Menthone SCHEMBL901274 1.00 TLR4 (0.39) TLR4L3MBTL1NPC1MAPTRAB9A
Menthone SCHEMBL4395963 1.00 TLR4 (0.39) TLR4L3MBTL1NPC1MAPTRAB9A
Rel-Menthone SCHEMBL21711 1.00 TLR4 (0.39) TLR4L3MBTL1NPC1MAPTRAB9A
Menthone SCHEMBL12326763 1.00 TLR4 (0.39) TLR4L3MBTL1NPC1MAPTRAB9A

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
CN-118265769-A Detergent composition 宝洁公司 2024-06-28 CN disclosed
CN-117677381-A Fragrance composition 科蒂公司 2024-03-08 CN disclosed