SCHEMBL1335929

SCHEMBL1335929

C=CC(C=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
LMNA P02545 3/20 0.36
SRC P12931 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
DPP4 P27487 2/20 0.35
F2 P00734 1/20 0.35
CYP2A6 P11509 1/20 0.35
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL28583238 0.87 CYP3A4 (0.43) CYP3A4ALDH1A1
SCHEMBL41440 0.85 TSHR (0.41) CYP2D6CYP2C19KDM4EMAPTCYP3A4
SCHEMBL548634 0.85 CYP2D6 (0.48) CYP2D6LMNASRCALDH1A1TSHR
SCHEMBL5243253 0.82 CYP2D6 (0.46) CYP2D6LMNASRCALDH1A1TSHR
SCHEMBL3418471 0.77 CYP2C19 (0.43) CYP2C19LMNACYP2A6
SCHEMBL12333611 0.77 SLC6A2 (0.37) CYP2C19KDM4EMAPTCYP3A4LMNA
SCHEMBL11042692 0.77 MAPT (0.42) CYP2D6CYP2C19KDM4EMAPTCYP3A4
SCHEMBL10747253 0.76 CYP2C19 (0.35) CYP2D6CYP2C19KDM4EMAPTCYP3A4
SCHEMBL21410131 0.76 CYP2C19 (0.35) CYP2D6CYP2C19KDM4EMAPTCYP3A4
SCHEMBL11470444 0.76 CYP2D6 (0.41) CYP2D6LMNASRCALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113943504-B Active energy ray-curable coating agent, cured product, and laminate 荒川化学工业株式会社 2024-05-10 CN claimed
CN-115490668-B Pyrimidylimidazole compound, preparation method thereof and organic solderability preservative 深圳市贝加电子材料有限公司 2024-04-02 CN claimed
CN-116554393-A Curable composition, film, laminate, and display device 住友化学株式会社 2023-08-08 CN claimed
CN-115490668-A Pyrimidyl imidazole compound, preparation method thereof and organic weldable protective agent 深圳市贝加电子材料有限公司 2022-12-20 CN claimed
CN-114002350-A Method for detecting content of organic impurities in tetrachlorodicyanobenzene 江苏新河农用化工有限公司 2022-02-01 CN claimed
CN-113234062-A Pyrazinylimidazole compound, weldable protective agent, preparation method and application of pyrazinylimidazole compound and weldable protective agent 赣州市贝加尔电子材料有限公司 2021-08-10 CN claimed
CN-113164917-A High activity and high selectivity copper extrudate catalyst 巴斯夫公司 2021-07-23 CN claimed
CN-111057043-A Imidazole compound, preparation method and application thereof, organic weldable protective agent containing imidazole compound and surface treatment method 深圳市贝加电子材料有限公司 2020-04-24 CN claimed
CN-104370728-A Synthetic method of 1-(3,4,5-trihydroxyl) phenyl-1-alkyl ketone SUZHOU JONATHAN NEW MATERIALS TECHNOLOGY CO LTD 2015-02-25 CN claimed
CN-100558702-C 2-hydroxy-3, 5-dialkyl benzene sulfonate anionic surfactant and preparation method and application thereof CHINESE ACAD TECH INST PHYSICS (CN) 2009-11-11 CN claimed
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US claimed
US-5427933-A Bioconversion MERCK & CO., INC. (US) 1995-06-27 US claimed
US-5068432-A Amination and etherification of a halo alcohol and resolution of a racemic mixture ALDRICH CHEMICAL COMPANY, INC. (US) 1991-11-26 US claimed
US-4950791-A REDUCING HALO-SUBSTITUTED PHENYLALKYLKETONE TO FORM ALCOHOL, REACTING ALCOHOL WITH AMINE SIGMA ALDRICH CO. 1990-08-21 US claimed
CN-1038276-A The method of the benzene alkyl formamide methyl amide that preparation replaces VNII CHIM SREDSTV ZASCHITY (SU) 1989-12-27 CN claimed
CN-113943504-B Active energy ray-curable coating agent, cured product, and laminate 荒川化学工业株式会社 2024-05-10 CN disclosed
CN-115490668-B Pyrimidylimidazole compound, preparation method thereof and organic solderability preservative 深圳市贝加电子材料有限公司 2024-04-02 CN disclosed
US-4173652-A ANTICOAGULANTS AKZONA INCORPORATED (US) 1979-11-06 US disclosed
US-4172097-A BY-PRODUCT INHIBITION BY INTRODUCING WATER OR A SECONDARY ALCOHOL UNION CARBIDE CORPORATION (US) 1979-10-23 US disclosed
US-4065505-A USING SELENIUM DIOXIDE IN THE PRESENCE OF A DRYING AGENT, M-PHENOXY TOLUENE TO M-PHENOXY BENZALDEHYDE SHELL OIL COMPANY (US) 1977-12-27 US disclosed