SCHEMBL9116780

SCHEMBL9116780

CC(=O)c1ccc2c(c1)CC(C)(C)C(C)(C)C2(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HSD17B1 P14061 1/20 0.44
PGR P06401 1/20 0.41
HPGD P15428 1/20 0.38
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
BLM P54132 1/20 0.35
GRM1 Q13255 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNJ1 P48048 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CYP2A6 P11509 1/20 0.34

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
SCHEMBL8985618 0.89 MAPT (0.47) MAPTNPC1RAB9AHSD17B1PGR
SCHEMBL9848328 0.77 ALDH1A1 (0.49) MAPTKDM4EALDH1A1POLBBLM
SCHEMBL996479 0.75 MAPT (0.46) MAPTNPC1RAB9AHSD17B1HPGD
SCHEMBL10702437 0.72 MAPT (0.47) MAPTNPC1RAB9AHSD17B1PGR
SCHEMBL9418937 0.71 NPC1 (0.55) MAPTNPC1RAB9AHSD17B1PGR
SCHEMBL12516220 0.70 MAPT (0.53) MAPTNPC1RAB9AHSD17B1PGR
SCHEMBL9419031 0.70 MAPT (0.53) MAPTNPC1RAB9AHSD17B1PGR
SCHEMBL21584068 0.69 NPC1 (0.67) MAPTNPC1RAB9AHSD17B1HPGD
SCHEMBL29793289 0.69 NPC1 (0.67) MAPTNPC1RAB9AHSD17B1HPGD
SCHEMBL15202656 0.69 MAPT (0.80) MAPTNPC1RAB9AHSD17B1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117396590-A Perfume for improving relaxation state and evaluation method 奇华顿股份有限公司 2024-01-12 CN claimed
EP-3507352-A1 PRODUCT COMPRISING A PLASTIC CONTAINER AND A SUBSTANCE COMPOSITION Symrise AG (DE) 2019-07-10 EP claimed
WO-2018041354-A1 PRODUCT COMPRISING A PLASTIC CONTAINER AND A SUBSTANCE COMPOSITION SYMRISE AG (DE) 2018-03-08 WO claimed
CN-116568266-A Aqueous hair conditioner composition containing dissolved anti-dandruff active 宝洁公司 2023-08-08 CN disclosed
CN-115968399-A Cleaning composition and use thereof 汉高股份有限及两合公司 2023-04-14 CN disclosed
CN-108473484-B Compounds useful as TRPM8 modulators 弗门尼舍公司 2021-06-29 CN disclosed
EP-3507352-A1 PRODUCT COMPRISING A PLASTIC CONTAINER AND A SUBSTANCE COMPOSITION Symrise AG (DE) 2019-07-10 EP disclosed
WO-2018041354-A1 PRODUCT COMPRISING A PLASTIC CONTAINER AND A SUBSTANCE COMPOSITION SYMRISE AG (DE) 2018-03-08 WO disclosed
CN-102597009-A A polymer made of a primary amine functionalized polymer and a hemicellulose SWETREE TECHNOLOGIES AB 2012-07-18 CN disclosed
WO-1995019948-A1 NOVEL ALKYL TETRALIN ALDEHYDE COMPOUNDS UNION CAMP CORPORATION (US) 1995-07-27 WO disclosed
WO-1995019761-A1 NOVEL ALKYL INDANE ALDEHYDE COMPOUNDS UNION CAMP CORPORATION (US) 1995-07-27 WO disclosed
US-5403823-A Fragrant musk-like aroma UNION CAMP CORPORATION (US) 1995-04-04 US disclosed
US-5401720-A Musk perfume UNION CAMP CORPORATION (US) 1995-03-28 US disclosed
WO-1995000113-A1 NOVEL FORMATE ESTER INDANE COMPOUNDS UNION CAMP CORPORATION (US) 1995-01-05 WO disclosed
WO-1995000114-A1 TETRALINE® FORMATE ESTER AROMA CHEMICALS UNION CAMP CORPORATION (US) 1995-01-05 WO disclosed
US-5292719-A Perfumes, colognes, soaps and cosmetics; musk aroma UNION CAMP CORPORATION (US) 1994-03-08 US disclosed
US-5292720-A Formate ester indane compounds UNION CAMP CORPORATION (US) 1994-03-08 US disclosed