SCHEMBL96457

SCHEMBL96457

CC(C)(C=O)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.52
SLC6A2 P23975 1/20 0.52
CYP3A4 P08684 3/20 0.48
ALDH1A1 P00352 3/20 0.48
CYP1A2 P05177 3/20 0.48
CYP2D6 P10635 2/20 0.48
HIF1A Q16665 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
USP2 O75604 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
BLM P54132 1/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 1/20 0.48
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
TRPA1 O75762 1/20 0.42

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
SCHEMBL11097710 0.88 CYP2D6 (0.43) TAAR1SLC6A2CYP3A4ALDH1A1CYP1A2
SCHEMBL6808885 0.83 BCHE (0.54) SLC6A2CYP1A2HIF1AMAPTLMNA
SCHEMBL28416740 0.82 TAAR1 (0.52) TAAR1SLC6A2CYP3A4ALDH1A1CYP1A2
SCHEMBL20590364 0.82 G6PC1 (0.40) TAAR1SLC6A2CYP3A4ALDH1A1CYP1A2
SCHEMBL28847130 0.80 MMP8 (0.40) TAAR1SLC6A2CYP3A4ALDH1A1CYP1A2
SCHEMBL111724 0.80 ALDH1A1 (0.47) TAAR1CYP3A4ALDH1A1CYP1A2CYP2D6
SCHEMBL1698031 0.80 TSHR (0.53) CYP3A4ALDH1A1CYP1A2CYP2D6HIF1A
SCHEMBL1216706 0.80 TSHR (0.47) TAAR1CYP3A4ALDH1A1CYP1A2CYP2D6
SCHEMBL340965 0.79 LMNA (0.52) TAAR1SLC6A2CYP3A4ALDH1A1CYP1A2
SCHEMBL9427318 0.79 SLC6A2 (0.54) TAAR1SLC6A2CYP3A4ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3800184-B1 ACETAL / KETAL-BASED FRAGRANCE AND INSECT REPELLENT PRECURSOR COMPOUNDS HENKEL AG & CO KGAA (DE) 2024-04-03 EP claimed
CN-117813077-A Composition and method for producing the same 西姆莱斯股份公司 2024-04-02 CN claimed
EP-4106822-A1 BAD-ODOR CONTROL USING ENCAPSULATION TECHNOLOGIES CONTAINING NEUTRALIZING AGENT Henkel AG & Co. KGaA (DE) 2022-12-28 EP claimed
CN-115043998-A Method for preparing magnetic polymer by utilizing glycosyl or phenylallyl monomer through photopolymerization reaction, polymer prepared by method and application of polymer 广州医科大学 2022-09-13 CN claimed
CN-109438205-B Synthesis method of 2-methyl-2, 3-diaryl propionaldehyde derivative 西北大学 2021-11-12 CN claimed
CN-112266822-A Essence for laundry detergent 厦门馨米兰香精香料有限公司 2021-01-26 CN claimed
EP-2809760-B1 PROCESS FOR REDUCING MALODOURS HENKEL AG & CO KGAA (DE) 2019-03-20 EP claimed
CN-108430445-A Spice composition 西姆莱斯股份公司 2018-08-21 CN claimed
EP-3080238-B1 AUTOMATIC DISHWASHER DETERGENTS CONTAINING OXAZOLIDINE ODORIFEROUS SUBSTANCE PRECURSORS HENKEL AG & CO KGAA (DE) 2018-02-28 EP claimed
EP-2651875-B1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS SIKA TECH AG (CH) 2017-08-30 EP claimed
WO-2006085048-A2 PRO-FRAGRANCE AND PRO-FLAVORANT COMPOSITIONS FLEXITRAL, INC. (US) 2006-08-17 WO claimed
WO-2006074979-A1 USE OF 2,2-DIMETHYL-3-CYCLOHEXYL-1-PROPANOL AS A PERFUME SYMRISE GMBH & CO. KG (DE) 2006-07-20 WO claimed
EP-1061894-B1 FRAGRANCE ENHANCING COMPOSITIONS FOR COSMETIC PRODUCTS COLGATE PALMOLIVE CO (US) 2005-11-16 EP claimed
WO-2002039971-A2 FRAGRANCE ENHANCING COMPOSITIONS WITH NON-POLYCYCLICS COLGATE-PALMOLIVE COMPANY (US) 2002-05-23 WO claimed
EP-1061894-A1 FRAGRANCE ENHANCING COMPOSITIONS FOR COSMETIC PRODUCTS Colgate-Palmolive Company (US) 2000-12-27 EP claimed
CN-1251984-A spray composition PROCTER & GAMBLE (US) 2000-05-03 CN claimed
CN-1251983-A Spray compositions PROCTER & GAMBLE (US) 2000-05-03 CN claimed
WO-1999044575-A1 FRAGRANCE ENHANCING COMPOSITIONS FOR COSMETIC PRODUCTS COLGATE-PALMOLIVE COMPANY (US) 1999-09-10 WO claimed
EP-0144815-B1 ALPHA-TERTIARY DIMETHYL ACETALS, THEIR PREPARATION AND USE AS PERFUMES Consortium für elektrochemische Industrie GmbH (DE) 1986-09-24 EP claimed
EP-0144815-A1 Alpha-tertiary dimethyl acetals, their preparation and use as perfumes Consortium für elektrochemische Industrie GmbH (DE) 1985-06-19 EP claimed