SCHEMBL6400426

SCHEMBL6400426

CC1=CC(C=O)C(C(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 2/20 0.36
OPRM1 P35372 1/20 0.36
PTPN1 P18031 1/20 0.35
USP2 O75604 1/20 0.31
NFE2L2 Q16236 1/20 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
SCHEMBL21834436 0.74 ACE2 (0.36) ACE2OPRM1PTPN1
SCHEMBL21889565 0.74 ACE2 (0.36) ACE2OPRM1PTPN1
SCHEMBL21889564 0.74 ACE2 (0.36) ACE2OPRM1PTPN1
SCHEMBL18878241 0.72 OPRM1 (0.39) ACE2OPRM1PTPN1
Methyl Piperitol SCHEMBL3032662 0.72 OPRM1 (0.37) ACE2OPRM1PTPN1NFE2L2
SCHEMBL14279103 0.71 ACE2 (0.35) ACE2OPRM1PTPN1
SCHEMBL12977500 0.71 OPRM1 (0.38) ACE2OPRM1PTPN1
SCHEMBL2981252 0.71 OPRM1 (0.38) ACE2OPRM1PTPN1
SCHEMBL12977506 0.71 OPRM1 (0.38) ACE2OPRM1PTPN1
SCHEMBL12977503 0.71 OPRM1 (0.38) ACE2OPRM1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115948200-A Spicy cigarette material and preparation method and application thereof 云南中烟工业有限责任公司 2023-04-11 CN claimed
CN-106061474-A Method of treatment of alopecia with monoterpenoids 赛尔米德有限公司 2016-10-26 CN claimed
CN-115948200-B Tobacco material with spicy flavor, preparation method and application thereof 云南中烟工业有限责任公司 2024-01-19 CN disclosed
CN-115948200-A Spicy cigarette material and preparation method and application thereof 云南中烟工业有限责任公司 2023-04-11 CN disclosed
CN-115948200-A Spicy cigarette material and preparation method and application thereof 云南中烟工业有限责任公司 2023-04-11 CN disclosed
CN-106061474-A Method of treatment of alopecia with monoterpenoids 赛尔米德有限公司 2016-10-26 CN disclosed
US-20050043205-A1 Laundry and cleaning compositions THE PROCTER & GAMBLE COMPANY (US) 2005-02-24 US disclosed