SCHEMBL5031818

SCHEMBL5031818

CC(C)COc1cccc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 7/20 0.64
CYP1A2 P05177 4/20 0.62
KDM4E B2RXH2 1/20 0.62
MEN1 O00255 1/20 0.62
CYP2C19 P33261 1/20 0.62
KMT2A Q03164 1/20 0.62
HTR1B P28222 6/20 0.60
CYP2D6 P10635 4/20 0.60
ADRB2 P07550 4/20 0.60
ADRB1 P08588 4/20 0.60
SIGMAR1 Q99720 4/20 0.60
SLC6A4 P31645 3/20 0.60
HTR2B P41595 3/20 0.60
ALDH1A1 P00352 3/20 0.60
ADRB3 P13945 3/20 0.60
HTR2A P28223 3/20 0.60
HTR2C P28335 3/20 0.60
HTR6 P50406 3/20 0.60
TSHR P16473 3/20 0.60
SCN1A P35498 2/20 0.60

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
SCHEMBL29829725 1.00 NR2E1 (0.64) NR2E1CYP1A2KDM4EMEN1CYP2C19
SCHEMBL10455678 0.86 NR2E1 (0.54) NR2E1CYP1A2KDM4EMEN1CYP2C19
SCHEMBL7973992 0.85 NR2E1 (0.60) NR2E1CYP1A2KDM4EMEN1CYP2C19
SCHEMBL1264131 0.85 NR2E1 (0.69) NR2E1CYP1A2KDM4EMEN1CYP2C19
SCHEMBL13727780 0.85 NR2E1 (0.60) NR2E1CYP1A2KDM4EMEN1CYP2C19
SCHEMBL9244006 0.85 NR2E1 (0.60) NR2E1CYP1A2KDM4EMEN1CYP2C19
SCHEMBL29029003 0.85 NR2E1 (0.61) NR2E1CYP1A2KDM4EMEN1CYP2C19
SCHEMBL3767592 0.85 TLR8 (0.50) NR2E1CYP1A2KDM4EMEN1CYP2C19
SCHEMBL8644783 0.84 CYP1A2 (0.61) NR2E1CYP1A2KDM4EMEN1CYP2C19
Ammonia Solution, Strong SCHEMBL7463483 0.84 NR2E1 (0.68) NR2E1CYP1A2KDM4EMEN1CYP2C19

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 110 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1894603-B1 Encapsulation of bulky fragrance molecules TAKASAGO PERFUMERY CO LTD (JP) 2014-11-19 EP claimed
EP-4472763-A1 METHOD FOR PRODUCING MICROCAPSULES Symrise AG (DE) 2024-12-11 EP disclosed
CN-115803309-B Odorous compounds and process for their preparation 丝趣科尔卡有限公司 2024-10-11 CN disclosed
CN-112334567-B Odorant secondary alcohols and compositions thereof 丝趣科尔卡有限公司 2024-09-17 CN disclosed
CN-118159258-A Composition containing caryophyllene 三生医药株式会社 2024-06-07 CN disclosed
EP-4330361-A1 2,4-DIMETHYLOCTA-2,7-DIEN-4-OL AS AN ODORIFEROUS SUBSTANCE Symrise AG (DE) 2024-03-06 EP disclosed
CN-111433336-B Odorants and compositions comprising odorants 丝趣科尔卡有限公司 2024-02-23 CN disclosed
CN-117063121-A Photosensitive film, photosensitive element, and method for producing laminate 株式会社力森诺科 2023-11-14 CN disclosed
CN-111448299-B Odorants and compositions comprising odorants 丝趣科尔卡有限公司 2023-10-31 CN disclosed
CN-111133086-B Composition comprising odorant 丝趣科尔卡有限公司 2023-09-05 CN disclosed
US-7205336-B2 β-secretase inhibitors MERCK & CO., INC. (US) 2007-04-17 US disclosed
EP-1677749-A1 SHORT-CHAIN ENOL ESTERS AS ODIFEROUS SUBSTANCE PRECURSORS Symrise GmbH & Co. KG (DE) 2006-07-12 EP disclosed
WO-2005037243-A1 SHORT-CHAIN ENOL ESTERS AS ODIFEROUS SUBSTANCE PRECURSORS SYMRISE GMBH & CO. KG (DE) 2005-04-28 WO disclosed
US-5235115-A Selective ethylation of 2-alkoxy-naphthalene compounds AMOCO CORPORATION (US) 1993-08-10 US disclosed
EP-0487714-A4 SELECTIVE ETHYLATION OF NAPHTHALENE COMPOUNDS 1993-07-07 EP disclosed
EP-0487714-A1 SELECTIVE ETHYLATION OF NAPHTHALENE COMPOUNDS AMOCO CORPORATION (US) 1992-06-03 EP disclosed
WO-1992000260-A1 SELECTIVE ETHYLATION OF NAPHTHALENE COMPOUNDS AMOCO CORPORATION (US) 1992-01-09 WO disclosed
EP-0114385-B1 ELECTRICAL INSULATING OIL AND OIL-FILLED ELECTRICAL APPLIANCES NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1987-08-05 EP disclosed
US-4543207-A ORGANIC ACID ESTERS, AROMATIC ETHERS, ANIMAL OILS, VEGETABLE OILS,AND AROMATIC OLEFINS NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1985-09-24 US disclosed
EP-0114385-A2 Electrical insulating oil and oil-filled electrical appliances NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1984-08-01 EP disclosed