SCHEMBL314216

SCHEMBL314216

CCOC(=O)CC(=O)c1ccc(OC)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.60
HDAC4 P56524 4/20 0.60
HDAC1 Q13547 4/20 0.60
HDAC7 Q8WUI4 4/20 0.60
HDAC2 Q92769 4/20 0.60
HDAC10 Q969S8 4/20 0.60
HDAC11 Q96DB2 4/20 0.60
HDAC8 Q9BY41 4/20 0.60
HDAC6 Q9UBN7 4/20 0.60
HDAC9 Q9UKV0 4/20 0.60
HDAC5 Q9UQL6 4/20 0.60
ALDH1A1 P00352 4/20 0.58
KMT2A Q03164 3/20 0.58
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 1/20 0.58
LMNA P02545 1/20 0.57
ALOX15 P16050 1/20 0.57
APEX1 P27695 1/20 0.57
MAPK1 P28482 1/20 0.57
RECQL P46063 1/20 0.57

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
SCHEMBL11830013 0.86 NPC1 (0.62) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL1897836 0.86 MMP1 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2644205 0.86 ALDH1A1 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17295084 0.85 ALDH1A1 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1398724 0.85 ALDH1A1 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1375197 0.85 MMP1 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13516645 0.84 ALDH1A1 (0.55) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL4997928 0.84 ALDH1A1 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL572 0.84 KMT2A (0.58) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL8084843 0.83 KMT2A (0.54) ALDH1A1KMT2AKDM4EMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122079963-A Synthesis method of atrasentan intermediate 2026-05-26 CN claimed
CN-114621182-B Derivatization reagent, synthesis method thereof and MALDI-MS-based method for in-situ analysis of monoamine neurotransmitters 中国科学院深圳先进技术研究院 2023-10-03 CN claimed
CN-111072476-B Method for high-selectivity fluoromethylation of beta-keto ester compounds on oxygen 南京理工大学 2022-10-21 CN claimed
CN-113402523-B Targeted mast cell MrgX2 small-molecule fluorescent probe and preparation method and application thereof 西安交通大学 2022-07-12 CN claimed
CN-114621182-A Derivatization reagent, synthesis method thereof and method for analyzing monoamine neurotransmitter in situ based on MALDI-MS 中国科学院深圳先进技术研究院 2022-06-14 CN claimed
CN-113402523-A Targeted mast cell MrgX2 small-molecule fluorescent probe and preparation method and application thereof 西安交通大学 2021-09-17 CN claimed
CN-111440174-B Pyridine amide compound and preparation method and application thereof 广州医科大学 2021-07-09 CN claimed
CN-112778133-A high-pH-value chrome tanning auxiliary agent containing polyfunctional group structure and preparation method and application thereof 南京工业大学 2021-05-11 CN claimed
CN-107960455-B Browning prevention and preservation method for lotus roots 浙江海洋大学 2020-11-10 CN claimed
CN-107960459-B Litchi peel browning prevention method 浙江海洋大学 2020-08-25 CN claimed
CN-111440174-A Pyridine amide compound and preparation method and application thereof 广州医科大学 2020-07-24 CN claimed
CN-111072476-A β -ketoester compound oxygen high-selectivity monofluoromethylation method 南京理工大学 2020-04-28 CN claimed
CN-105523874-A Preparation method of 2,2-dihalo-1,3-dicarbonyl derivatives ZHANGJIAGANG INST IND TECHNOLOGIES SOOCHOW UNIV 2016-04-27 CN claimed
CN-105503635-A Preparation method for 2-amidoformyl-1,3-dicarbonyl derivative UNIV SOOCHOW 2016-04-20 CN claimed
CN-105461496-A Preparation method for 2-halogenated-1,3-dicarbonyl derivative CHINASUN SPECIALTY PRODUCTS CO LTD 2016-04-06 CN claimed
CN-104557738-A Green synthesis method of 4(3H)-quinazolinone UNIV HUNAN 2015-04-29 CN claimed
EP-0912467-B1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE SA (FR) 2002-04-24 EP claimed
CN-122079963-A Synthesis method of atrasentan intermediate 2026-05-26 CN disclosed
US-3976653-A ANALGESIC ANTAGONIST STERLING DRUG INC. (US) 1976-08-24 US disclosed
US-3971731-A OPTICAL BRIGHTENER, UV ABSORBER BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 US disclosed