SCHEMBL29403030

SCHEMBL29403030

CC(C)(C)c1cc(CC(=O)Cc2cc(C(C)(C)C)cc3c2CCC3(C)C)c2c(c1)C(C)(C)CC2

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 11/20 0.50
RXRG P48443 7/20 0.49
RXRB P28702 8/20 0.44
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
CYP2C19 P33261 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HIF1A Q16665 1/20 0.31
ELANE P08246 1/20 0.30
CD69 Q07108 1/20 0.30
IDO1 P14902 1/20 0.30
TDO2 P48775 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
SCHEMBL585772 1.00 RXRA (0.50) RXRARXRGRXRBPTGS1PTGS2
SCHEMBL29528253 0.90 RXRA (0.52) RXRARXRGRXRBELANECD69
SCHEMBL21518796 0.86 RXRA (0.48) RXRARXRGRXRBPTGS1PTGS2
SCHEMBL28665083 0.85 RXRA (0.48) RXRARXRGRXRBCYP2C19
SCHEMBL1225260 0.80 RXRA (0.47) RXRARXRGRXRB
SCHEMBL29374183 0.78 RXRA (0.63) RXRARXRGRXRBPTGS1PTGS2
SCHEMBL112943 0.78 RXRA (0.63) RXRARXRGRXRBPTGS1PTGS2
SCHEMBL3633427 0.77 RXRA (0.65) RXRARXRGRXRB
Acetic Acid SCHEMBL8421363 0.75 RXRA (0.54) RXRARXRGRXRBCYP2C19CYP1A2
SCHEMBL8012309 0.75 RXRA (0.50) RXRARXRGRXRBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120202281-A Substituted 1, 3-dioxolan-4-ones and 1, 3-dioxane-4-ones as perfume ingredients 巴斯夫欧洲公司 2025-06-24 CN disclosed
CN-119744164-A Odor and colorant stable compositions 西姆莱斯股份公司 2025-04-01 CN disclosed
CN-119730951-A Method for producing microparticles 巴斯夫欧洲公司 2025-03-28 CN disclosed
CN-119451945-A Process for preparing 2,4, 6-substituted triazines 西姆莱斯股份公司 2025-02-14 CN disclosed
CN-119421697-A Cyclohexane and/or cyclohexene esters as fragrances 西姆莱斯股份公司 2025-02-11 CN disclosed
CN-119403779-A Use of cyclohomofragrant folic acid esters as fragrance chemicals 巴斯夫欧洲公司 2025-02-07 CN disclosed
CN-119384486-A 1- (Methoxymethyl) -2-methyl-benzene as a fragrance 西姆莱斯股份公司 2025-01-28 CN disclosed
CN-115322833-B Perfume mixture 西姆莱斯股份公司 2025-01-28 CN disclosed
CN-119365573-A 5, 5-Disubstituted tetrahydrofuran-2-ones as fragrance compounds 西姆莱斯股份公司 2025-01-24 CN disclosed
CN-119317481-A Method for preparing microcapsules 西姆莱斯股份公司 2025-01-14 CN disclosed
EP-3996525-A1 METHOD FOR THE RECOVERY OR ENRICHMENT OF FLAVOURS OF FRAGRANCES FROM AN AROMA-LADEN GAS PHASE AND AN AROMA CONCENTRATE Symrise AG (DE) 2022-05-18 EP disclosed
EP-3969163-A1 BIODEGRADABLE POLYUREA/POLYURETHANE MICROCAPSULES Symrise AG (DE) 2022-03-23 EP disclosed
EP-3969164-A1 METHOD FOR PRODUCING MICROCAPSULES Symrise AG (DE) 2022-03-23 EP disclosed
EP-3969162-A1 POLYUREA/POLYURETHANE MICROCAPSULES Symrise AG (DE) 2022-03-23 EP disclosed
EP-3968784-A1 FRAGRANCE OR FLAVOURING AGENT MIXTURE Symrise AG (DE) 2022-03-23 EP disclosed
EP-3969165-A1 BIODEGRADABLE POLYUREA/POLYURETHANE MICROCAPSULES Symrise AG (DE) 2022-03-23 EP disclosed
WO-2022043089-A1 ENRICHMENT OF A DIASTEREOMER IN MAGNOLAN SYMRISE AG (DE) 2022-03-03 WO disclosed
WO-2022042829-A1 ENRICHMENT OF A DIASTEREOMER IN MAGNOLAN SYMRISE AG (DE) 2022-03-03 WO disclosed
CN-114096234-A Method for producing microparticles loaded with volatile organic active 巴斯夫欧洲公司 2022-02-25 CN disclosed
CN-114080380-A 2- (2,4, 5-trimethylcyclohex-2-en-1-yl) acetaldehyde and derivatives and their use as fragrance chemicals 巴斯夫欧洲公司 2022-02-22 CN disclosed