SCHEMBL258545

SCHEMBL258545

O=C(O)C(=O)CCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.67
FFAR1 O14842 2/20 0.61
ALDH1A1 P00352 2/20 0.61
PLAAT5 Q96KN8 2/20 0.60
PLAAT4 Q9UL19 2/20 0.60
HDAC2 Q92769 3/20 0.57
HDAC8 Q9BY41 3/20 0.57
HDAC6 Q9UBN7 3/20 0.57
TDP1 Q9NUW8 3/20 0.57
HDAC1 Q13547 4/20 0.56
HDAC3 O15379 2/20 0.56
HDAC4 P56524 2/20 0.56
HDAC7 Q8WUI4 2/20 0.56
HDAC10 Q969S8 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC9 Q9UKV0 2/20 0.56
HDAC5 Q9UQL6 2/20 0.56
MAPK1 P28482 1/20 0.56
ADRA1A P35348 1/20 0.56
SLC6A3 Q01959 1/20 0.56

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
SCHEMBL10352043 0.98 KEAP1 (0.64) KEAP1FFAR1ALDH1A1PLAAT5PLAAT4
Acetic Acid SCHEMBL27883812 0.94 ALDH1A1 (0.67) KEAP1FFAR1ALDH1A1PLAAT5PLAAT4
SCHEMBL4279627 0.90 KEAP1 (0.73) KEAP1FFAR1ALDH1A1PLAAT5PLAAT4
SCHEMBL28742807 0.87 FFAR1 (0.71) KEAP1FFAR1HDAC2HDAC8HDAC6
SCHEMBL710419 0.86 HDAC1 (0.69) KEAP1FFAR1ALDH1A1PLAAT5PLAAT4
SCHEMBL29078123 0.86 KEAP1 (0.67) KEAP1FFAR1ALDH1A1PLAAT5PLAAT4
SCHEMBL3270086 0.85 MAPT (0.68) PLAAT5PLAAT4HDAC2HDAC8HDAC6
SCHEMBL8511630 0.83 MAPT (0.71) PLAAT5PLAAT4HDAC2HDAC8HDAC6
SCHEMBL27851418 0.83 MMP12 (0.58) KEAP1FFAR1ALDH1A1PLAAT5PLAAT4
SCHEMBL7270063 0.82 FFAR1 (0.74) FFAR1PLAAT5PLAAT4CES1PLAAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120005847-A Alpha-hydroxy-beta-keto acid synthase for catalyzing alpha-keto acid coupling reaction 北京大学 2025-05-16 CN claimed
CN-118580143-A Preparation method of 4-phenylbutyric acid and derivatives thereof 北京大学 2024-09-03 CN claimed
CN-118028837-A Amino Acid Synthesis Method 中山大学 2024-05-14 CN claimed
CN-117265554-A Method for preparing thioester derivative by electrocatalytic reaction 江苏中利集团股份有限公司 2023-12-22 CN claimed
CN-114196642-B Glutamate dehydrogenase variants and their use in the preparation of L-amino acids 浙江大学杭州国际科创中心 2023-12-05 CN claimed
WO-2023198025-A1 SYNTHESIS METHOD AND SYNTHESIS DEVICE FOR ORGANIC NITROGEN-CONTAINING COMPOUND 中山大学 2023-10-19 WO claimed
CN-115851641-A Fusion enzyme for efficiently producing (R) -2-hydroxy-4-phenylbutyric ethyl butyrate and application thereof 浙江工业大学 2023-03-28 CN claimed
CN-115820622-A Double-enzyme self-assembly compound and application of compound in synthesizing (R) -2-hydroxy-4-phenylbutyrate 浙江工业大学 2023-03-21 CN claimed
CN-114196642-A Glutamate dehydrogenase variants and their use in the preparation of L-amino acids 浙江大学杭州国际科创中心 2022-03-18 CN claimed
CN-113817697-A Phenylalanine dehydrogenase mutant and application thereof in synthesis of L-homophenylalanine 江南大学 2021-12-21 CN claimed
EP-0387058-A1 Process for preparing benzylpyruvic acids and esters MERCK & CO. INC. (US) 1990-09-12 EP claimed
US-4956490-A Process for preparing benzylpyruvic acids and esters MERCK & CO., INC. (US) 1990-09-11 US claimed
EP-0135846-B1 PRODUCTION OF L-AMINO ACIDS BY TRANSAMINATION GENETICS INSTITUTE, INC. (US) 1990-08-16 EP claimed
US-4837354-A Process for making and isolating (R)-2-hydroxy-4-phenylbutyric acid and esters MERRELL DOW PHARMACEUTICALS INC. (US) 1989-06-06 US claimed
EP-0280285-A2 Process for making and isolating (R)-2-hydroxy 4-phenylbutyric acid and esters MERRELL DOW PHARMACEUTICALS INC. (US) 1988-08-31 EP claimed
US-4525454-A REACTING 2-KETOACID AND L-ASPARTIC ACID IN PRESENCE OF TRANSAMINASE ENZYME GENETICS INSTITUTE, INC. (US) 1985-06-25 US claimed
EP-0135846-A2 Production of L-amino acids by transamination GENETICS INSTITUTE, INC. (US) 1985-04-03 EP claimed
US-4481368-A Process for preparing α-keto-carboxylic acids from acyl halides ETHYL CORPORATION (US) 1984-11-06 US claimed
US-4481369-A VIA TRICARBONYL(TRIPHENYLPOSPHINE) COBALTATE ETHYL CORPORATION (US) 1984-11-06 US claimed
EP-0012117-B1 PROCESS FOR THE PREPARATION OF 2,3,5-TRICHLOROPYRIDINE; 2,4,4-TRICHLORO-4-FORMYL-BUTYRONITRILE AND PROCESS FOR ITS PREPARATION CIBA-GEIGY AG (CH) 1982-02-10 EP claimed