SCHEMBL576279

SCHEMBL576279

O=C1OCCC1(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
ELANE P08246 2/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
Hydrochloric Acid SCHEMBL28211399 0.98 L3MBTL1 (0.44) L3MBTL1LMNAHTTNPSR1MAOA
SCHEMBL576739 0.89 L3MBTL1 (0.42) L3MBTL1LMNAHTTNPSR1MAOA
SCHEMBL577037 0.88 LMNA (0.41) L3MBTL1LMNAHTTNPSR1MAOA
SCHEMBL7350398 0.87 LMNA (0.42) L3MBTL1LMNAHTTNPSR1MAOA
Hydrocinnamyl Alcohol SCHEMBL28050024 0.87 NAAA (0.39) L3MBTL1LMNAHTTNPSR1MEN1
SCHEMBL4470421 0.86 HTT (0.38) L3MBTL1LMNAHTTNPSR1MAOA
Hydrocinnamyl Alcohol SCHEMBL28072307 0.85 NAAA (0.39) L3MBTL1LMNAHTTNPSR1MEN1
SCHEMBL577121 0.82 GAA (0.37) L3MBTL1LMNAMAOAMAOBGAA
SCHEMBL576999 0.81 LMNA (0.47) L3MBTL1LMNAHTTNPSR1MAOA
SCHEMBL7359045 0.80 GRM1 (0.47) MAOAMAOBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117844775-A Method for catalyzing methylation of dibenzyl butyrolactone lignans by using trachelospermi methyltransferase 河南农业大学 2024-04-09 CN claimed
WO-2024051666-A1 DIBENZYLBUTYROLACTONE GLYCOSIDE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海药物研究所 2024-03-14 WO claimed
CN-117645641-A Dibenzyl butyrolactone glycoside compound, and preparation method and application thereof 中国科学院上海药物研究所 2024-03-05 CN claimed
CN-103550203-B The application of benzyl butyrolactone compound in preparation control encephalitis b virus medicine ARMY MEDICAL UNIV. NO.2, CHINESE PLA (CN) 2015-10-07 CN claimed
CN-103550203-A Application of benzylbutyrolactone compounds to prepare medicaments for controlling Japanese encephalitis virus UNIV PLA 2ND MILITARY MEDICAL 2014-02-05 CN claimed
WO-1999036419-A1 SUBSTITUTED LACTONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS BAYER AKTIENGESELLSCHAFT (DE) 1999-07-22 WO claimed
EP-3813815-B1 COMPOSITIONS AND METHODS OF USING ITACONIC ACID DERIVATIVES ERGON PHARMACEUTICALS LLC (US) 2026-01-28 EP disclosed
CN-119700654-A Local efficient Pickering emulsion with nano-micro particle structure and preparation method of modified mesoporous silicon thereof 上海现代药物制剂工程研究中心有限公司 2025-03-28 CN disclosed
CN-116789620-B Aryl-containing saturated gamma-butyrolactone compound, preparation method thereof and application thereof in resisting plant viruses 西北农林科技大学 2024-09-10 CN disclosed
CN-118175934-A Feed additive composition and method 普密艾营养有限公司 2024-06-11 CN disclosed
CN-118076237-A Feed additive for improving performance of domestic animals 普密艾营养有限公司 2024-05-24 CN disclosed
CN-117844775-A Method for catalyzing methylation of dibenzyl butyrolactone lignans by using trachelospermi methyltransferase 河南农业大学 2024-04-09 CN disclosed
CN-117844775-A Method for catalyzing methylation of dibenzyl butyrolactone lignans by using trachelospermi methyltransferase 河南农业大学 2024-04-09 CN disclosed
WO-1999036419-A1 SUBSTITUTED LACTONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS BAYER AKTIENGESELLSCHAFT (DE) 1999-07-22 WO disclosed
WO-1999006388-A2 PHARMACEUTICAL COMPOUNDS ISOLATED FROM ARISTOLOCHIA TALISCANA PROTEOME SCIENCES PLC. (GB) 1999-02-11 WO disclosed
WO-1998020113-A1 RECOMBINANT PINORESINOL/LARICIRESINOL REDUCTASE, RECOMBINANT DIRIGENT PROTEIN, AND METHODS OF USE WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION (US) 1998-05-14 WO disclosed
EP-0259417-B1 RUTHENIUM CATALYST FOR BIARYLIC COUPLING; NEW STEGANOLIDES UNIVERSITE DU MAINE (LE MANS) (FR) 1990-01-03 EP disclosed
US-4873349-A Ruthenium catalyst for biarylic coupling; new steganolides UNIVERSITE DU MAINE (LE MANS) (FR) 1989-10-10 US disclosed
EP-0259417-A1 RUTHENIUM CATALYST FOR BIARYLIC COUPLING; NEW STEGANOLIDES. UNIV MAINE LE MANS (FR) 1988-03-16 EP disclosed
WO-1987005289-A1 RUTHENIUM CATALYST FOR BIARYLIC COUPLING; NEW STEGANOLIDES UNIVERSITE DU MAINE (LE MANS) (FR) 1987-09-11 WO disclosed