SCHEMBL168282

SCHEMBL168282

Cc1ccccc1CC=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.46
TSHR P16473 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CHRM2 P08172 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
CDK4 P11802 2/20 0.42
CCND1 P24385 2/20 0.42
ACHE P22303 1/20 0.41
KMT2A Q03164 4/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 2/20 0.40
CTBP2 P56545 1/20 0.40
MAPT P10636 2/20 0.39
GPR84 Q9NQS5 1/20 0.39
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
MEN1 O00255 2/20 0.38

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
SCHEMBL29767673 1.00 TAAR1 (0.46) TAAR1TSHRALDH1A1CHRM2PTGS1
Water SCHEMBL27705116 0.98 TAAR1 (0.45) TAAR1TSHRALDH1A1CHRM2PTGS1
SCHEMBL3364100 0.82 ESR1 (0.41) TAAR1TSHRALDH1A1CHRM2CDK4
SCHEMBL7461135 0.82 TDP1 (0.38) TSHRALDH1A1KMT2AHPGDMEN1
SCHEMBL5050611 0.80 MYC (0.44) TAAR1TSHRALDH1A1CHRM2PTGS1
SCHEMBL1545845 0.79 ALDH1A1 (0.34) TAAR1TSHRALDH1A1CHRM2PTGS1
SCHEMBL30753814 0.79 CDK4 (0.49) TAAR1TSHRALDH1A1CHRM2PTGS1
SCHEMBL6927858 0.79 MPO (0.35) TAAR1TSHRALDH1A1CHRM2PTGS1
SCHEMBL13042664 0.79 CD44 (0.45) TAAR1TSHRALDH1A1CHRM2PTGS1
SCHEMBL4619300 0.79 GABRA1 (0.45) TAAR1TSHRALDH1A1CHRM2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023232242-A1 FRAGRANCE MIXTURE SYMRISE AG (DE) 2023-12-07 WO claimed
WO-2023147852-A1 COMPOSITIONS (III) SYMRISE AG (DE) 2023-08-10 WO claimed
EP-3416612-B1 FRAGRANT MIXTURES CONTAINING ESTERS AND KETONES SYMRISE AG (DE) 2022-12-28 EP claimed
EP-4106822-A1 BAD-ODOR CONTROL USING ENCAPSULATION TECHNOLOGIES CONTAINING NEUTRALIZING AGENT Henkel AG & Co. KGaA (DE) 2022-12-28 EP claimed
CN-109069378-B Perfume mixture containing ester and ketone 西姆莱斯股份公司 2022-10-11 CN claimed
CN-107686475-B Synthesis method of 2,3, 5-trisubstituted thiophene and derivatives thereof 湘潭大学 2020-09-25 CN claimed
EP-3692047-A1 HYDROLYTICALLY LABILE SILYL ENOL ETHER FRAGRANCE KETONES OR ALDEHYDES Henkel AG & Co. KGaA (DE) 2020-08-12 EP claimed
CN-108219784-B Method for synthesizing carbon quantum dots by acid-assisted aldehyde ketone 中南大学 2020-02-04 CN claimed
CN-107119297-B A kind of oil field tube and its electro-plating method and plating materials 胜利油田胜鑫防腐有限责任公司 2018-09-25 CN claimed
EP-3080238-B1 AUTOMATIC DISHWASHER DETERGENTS CONTAINING OXAZOLIDINE ODORIFEROUS SUBSTANCE PRECURSORS HENKEL AG & CO KGAA (DE) 2018-02-28 EP claimed
WO-2008145470-A1 INHIBITION OF DISCOLORATION BY WASHING AND CLEANING AGENTS AND/OR COSMETIC AGENTS HENKEL AG & CO. KGAA (DE) 2008-12-04 WO claimed
CN-101296934-A Process for preparing gemcitabine and associated intermediates CHEMAGIS LTD (IL) 2008-10-29 CN claimed
EP-1976855-A1 1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE COMPOUNDS AND THEIR USE AS PRO-FRAGRANCES Henkel AG & Co. KGaA (DE) 2008-10-08 EP claimed
EP-1931693-A2 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES CHEMAGIS LTD. (IL) 2008-06-18 EP claimed
WO-2007087977-A1 1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE COMPOUNDS AND THEIR USE AS PRO-FRAGRANCES HENKEL AG & CO. KGAA (DE) 2007-08-09 WO claimed
WO-2007027564-A2 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES CHEMAGIS LTD. (IL) 2007-03-08 WO claimed
EP-1697386-A1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES General Electric Company A Corporation of the State of New York (US) 2006-09-06 EP claimed
EP-1660621-A1 AGENTS THAT ARE ABSORBED BY THE SURFACE OF SUBSTRATES Henkel Kommanditgesellschaft auf Aktien (DE) 2006-05-31 EP claimed
WO-2005066187-A1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES GENERAL ELECTRIC COMPANY (US) 2005-07-21 WO claimed
WO-2005019400-A1 AGENTS THAT ARE ABSORBED BY THE SURFACE OF SUBSTRATES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-03-03 WO claimed