SCHEMBL3262986

SCHEMBL3262986

CC(C)([C]=O)C(C=O)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.34
KMT2A Q03164 2/20 0.33
RIPK1 Q13546 2/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
HTR2A P28223 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
AOC3 Q16853 1/20 0.31
CACNA1F O60840 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
ADRA2B P18089 1/20 0.31
CHRM3 P20309 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
OPRK1 P41145 1/20 0.31
CACNA1D Q01668 1/20 0.31

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
SCHEMBL28077691 0.79 CYP2D6 (0.39) CYP2D6KMT2ARIPK1ATML3MBTL1
SCHEMBL10602004 0.77 TRPA1 (0.33) CYP2D6KMT2ARIPK1HTR2ATAAR1
SCHEMBL28825924 0.76 CYP2D6 (0.37) CYP2D6KMT2ARIPK1ATML3MBTL1
SCHEMBL11476137 0.76 CYP2D6 (0.41) CYP2D6KMT2ARIPK1ATML3MBTL1
SCHEMBL4847089 0.75 RIPK1 (0.36) CYP2D6KMT2ARIPK1ATML3MBTL1
SCHEMBL24723643 0.73 RIPK1 (0.35) CYP2D6KMT2ARIPK1ATML3MBTL1
SCHEMBL10433996 0.73 CYP2C19 (0.37) CYP2D6KMT2ARIPK1HTR2ATAAR1
SCHEMBL1716440 0.73 CYP2D6 (0.43) CYP2D6KMT2AATML3MBTL1LMNA
SCHEMBL28784858 0.72 POLB (0.38) LMNAGAACYP2C19
SCHEMBL1225030 0.71 CYP2D6 (0.39) CYP2D6KMT2AHTR2ATAAR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108884425-A Water-soluble film, pouch and container system 蒙诺苏尔有限公司 2018-11-23 CN disclosed
CN-107207691-A The viscosity modifier of composition containing organic phase 路博润先进材料公司 2017-09-26 CN disclosed
CN-107159069-A A kind of leather osmanthus flower fragrance capsule 上海应用技术大学 2017-09-15 CN disclosed
CN-103718109-B Photosensitive polymer combination and film, pattern forming material, polyimide film, relief pattern and preparation method and semiconductor device 富士胶片株式会社 2017-06-23 CN disclosed
CN-103282475-B Fragrance compositions comprising special mixtures of diastereomers of 2-sobutyl-4-methyl-tetrahydro-2h-pyran-4-ol BASF SE 2015-04-15 CN disclosed
EP-1138700-B1 Process for producing catalyst for olefin polymerization and process for producing olefin polymer SUMITOMO CHEMICAL CO (JP) 2010-05-05 EP disclosed
US-6521725-B2 Contacting with one another a solid catalyst containing atleast titanium, magnesium and halogen atoms, an organoaluminum compounds and a compound selected from organoester with atleast two ester group, a cyclic ketone SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-02-18 US disclosed
US-20010031696-A1 Process for producing catalyst for olefin polymerization and process for producing olefin polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-10-18 US disclosed
EP-1138700-A2 Process for producing catalyst for olefin polymerization and process for producing olefin polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-10-04 EP disclosed
EP-1073702-A1 PERFUMES COMPRISING 4-ISOBUTYLCYCLOHEXANOLS QUEST INTERNATIONAL B.V. (NL) 2001-02-07 EP disclosed
WO-1999055811-A1 PERFUMES COMPRISING 4-ISOBUTYLCYCLOHEXANOLS QUEST INTERNATIONAL B.V. (NL) 1999-11-04 WO disclosed
EP-0219901-B1 PERFUME COMPOSITIONS AND PERFUMED PRODUCTS WHICH CONTAIN AN ALKYL 2-MERCAPTOBENZOATE AS BASIC COMPONENT NAARDEN INTERNATIONAL N.V. (NL) 1989-04-19 EP disclosed
US-4749682-A SOAPS, DETERGENTS, COSMETICS, HAIR PRODUCTS, CANDLES NAARDEN INTERNATIONAL N.V. (NL) 1988-06-07 US disclosed
US-4183831-A 5-Ethyl-4-methyl-methylnicotinate perfume compositions TAKASAGO PERFUMERY CO., LTD. (JP) 1980-01-15 US disclosed
US-4067823-A Thallium(III) reagents supported on montmorillonite clay minerals and oxythallation processes for utilizing same EMERY INDUSTRIES, INC. (US) 1978-01-10 US disclosed