SCHEMBL187562

SCHEMBL187562

COc1ccc(CC(C)=O)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
HTT P42858 3/20 0.61
NPC1 O15118 1/20 0.61
GAA P10253 5/20 0.59
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
MAPT P10636 1/20 0.59
HPGD P15428 1/20 0.59
ALDH1A1 P00352 3/20 0.59
LDHA P00338 1/20 0.59
CA2 P00918 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
NPSR1 Q6W5P4 1/20 0.56
MAPK1 P28482 1/20 0.56
EPHX2 P34913 1/20 0.56
CYP3A4 P08684 1/20 0.56
CA5A P35218 1/20 0.55
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL29354607 1.00 LMNA (0.61) LMNAHTTNPC1GAAKMT2A
SCHEMBL28561801 0.98 LMNA (0.59) LMNAHTTNPC1GAAKMT2A
SCHEMBL10245332 0.87 POLB (0.57) LMNAHTTNPC1GAAKMT2A
SCHEMBL11187045 0.86 LMNA (0.63) LMNAHTTNPC1GAAKMT2A
SCHEMBL30859524 0.86 LMNA (0.63) LMNAHTTNPC1GAAKMT2A
SCHEMBL4082027 0.85 GAA (0.51) LMNAHTTNPC1GAAKMT2A
SCHEMBL1682653 0.85 TSHR (0.75) LMNAGAAALDH1A1MAPK1CYP3A4
SCHEMBL18255551 0.85 GAA (0.75) LMNAGAAKMT2AMEN1MAPT
SCHEMBL30310281 0.85 TSHR (0.75) LMNAGAAALDH1A1MAPK1CYP3A4
SCHEMBL30388881 0.85 GAA (0.75) LMNAGAAKMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111302970-B Preparation method of 3, 4-dimethoxy benzonitrile 河南农业大学 2021-04-27 CN claimed
CN-111302970-A Preparation method of 3, 4-dimethoxy benzonitrile 河南农业大学 2020-06-19 CN claimed
CN-110590529-A Preparation method of 1-aryl-2-acetone compound 浙江医药高等专科学校 2019-12-20 CN claimed
EP-2623593-B1 NOVEL AMINOTRANSFERASE AND GENE ENCODING SAME, AND USE OF THE AMINOTRANSFERASE AND THE GENE KANEKA CORP (JP) 2017-07-12 EP claimed
EP-2684953-B1 MODIFIED AMINOTRANSFERASE, GENE THEREOF, AND METHOD FOR PRODUCING OPTICALLY ACTIVE AMINO COMPOUND USING SAME KANEKA CORP (JP) 2017-06-28 EP claimed
EP-2623595-B1 NOVEL TRANSAMINASE SHOWING HIGH ACTIVITY FOR GLUTAMIC ACID, GENE ENCODING SAME, AND METHOD FOR UTILIZATION THEREOF KANEKA CORP (JP) 2016-11-02 EP claimed
US-9481870-B2 Nucleic acid encoding a polypeptide having aminotransferase activity, vectors and host cells comprising the nucleic acid KANEKA CORPORATION (JP) 2016-11-01 US claimed
CN-103534353-B Modification type aminopherase, its gene and utilize their manufacture method of optical activity amino-compound 株式会社钟化 2016-08-17 CN claimed
US-9029113-B2 Modified aminotransferase, gene thereof, and method for producing optically active amino compound using same KANEKA CORPORATION (JP) 2015-05-12 US claimed
EP-2684953-A1 MODIFIED AMINOTRANSFERASE, GENE THEREOF, AND METHOD FOR PRODUCING OPTICALLY ACTIVE AMINO COMPOUND USING SAME Kaneka Corporation (JP) 2014-01-15 EP claimed
EP-1469079-A1 Carbonly reductases, polynucleotides comprising DNA encoding the same, methods for producing the same,and methods for producing optically active alcohol utilizing the same Daicel Chemical Industries, Ltd. (JP) 2004-10-20 EP claimed
EP-1455736-A1 RESTRUCTURING AND FINISHING OF KERATIN FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2004-09-15 EP claimed
WO-2003053375-A1 RESTRUCTURING AND FINISHING OF KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-07-03 WO claimed
US-6346402-B1 ACTS ON OPTICALLY ACTIVE (S)-ALPHA-PHENETHYLAMINE AND PYRUVIC ACID TO FORM ACETOPHENONE AND ALANINE; FOR PRODUCING CHEMICAL INTERMEDIATES OF DRUGS AND AGRICULTURAL CHEMICALS KANEKA CORPORATION (JP) 2002-02-12 US claimed
EP-1045025-A1 (S)-alpha-PHENETHYLAMINE : PYRUVATE TRANSAMINASE KANEKA CORPORATION (JP) 2000-10-18 EP claimed
US-6117223-A Hot melt inks containing polyketones XEROX CORPORATION (US) 2000-09-12 US claimed
US-5663360-A REACTING 3,4-DIMETHOXYAMPHETAMINE WITH 3-CHLOROMANDELIC ACID F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 1997-09-02 US claimed
EP-0521650-B1 Working fluid composition for use in refrigeration system KAO CORP (JP) 1997-08-13 EP claimed
US-5360724-A Process for the preparation of chiral 1-aryl-2-aminopropanes CELGENE CORPORATION (US) 1994-11-01 US claimed
EP-0247526-A2 Process for 3,4-dimethoxyphenyl-acetone preparation LARK S.p.A. (IT) 1987-12-02 EP claimed