SCHEMBL6559030

SCHEMBL6559030

CCOC(=O)c1cc(C)cnc1C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 4/20 0.46
GLA P06280 2/20 0.46
GAA P10253 2/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
HSP90AA1 P07900 1/20 0.43
DPP4 P27487 1/20 0.43
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL29859779 1.00 TSHR (0.47) TSHRALDH1A1KDM4EGLAGAA
SCHEMBL31261177 0.90 TSHR (0.44) TSHRALDH1A1KDM4EGLAGAA
SCHEMBL28080391 0.90 KDM4E (0.49) TSHRALDH1A1KDM4EGLAGAA
SCHEMBL23500733 0.90 CYP2C9 (0.47) TSHRALDH1A1KDM4EGLAGAA
SCHEMBL31261191 0.87 TSHR (0.42) TSHRALDH1A1KDM4EGLAGAA
SCHEMBL28593529 0.86 TSHR (0.51) TSHRALDH1A1MEN1KMT2ALMNA
SCHEMBL10465834 0.85 CYP2C19 (0.53) TSHRALDH1A1MEN1KMT2ACA12
SCHEMBL29897883 0.85 TSHR (0.46) TSHRALDH1A1KDM4EGLAGAA
SCHEMBL6559833 0.85 TSHR (0.46) TSHRALDH1A1KDM4EGLAGAA
SCHEMBL20399682 0.85 JMJD6 (0.43) ALDH1A1KDM4EGLAGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118480002-A High-selectivity synthesis method of imazamox intermediate diethyl 5-bromomethyl-2, 3-pyridine dicarboxylic acid 湖北三峡实验室 2024-08-13 CN claimed
CN-220939170-U Rectifying device for production and processing of 5-methyl-pyridine-2, 3-dicarboxylic acid diethyl ester 武威昌鸿科技有限公司 2024-05-14 CN claimed
CN-220589956-U Layered processing reaction kettle for producing 5-methyl-pyridine-2, 3-dicarboxylic acid diethyl ester 武威昌鸿科技有限公司 2024-03-15 CN claimed
CN-112142727-B Imazapyr methyl intermediate and preparation method and application thereof 山东润博生物科技有限公司 2022-09-16 CN claimed
CN-114933561-A Preparation method of 5-substituted-2, 3-pyridine dicarboxylic ester compound and quaternary ammonium salt thereof 沈阳万菱生物技术有限公司 2022-08-23 CN claimed
CN-112142727-A Imazapyr methyl intermediate and preparation method and application thereof 山东润博生物科技有限公司 2020-12-29 CN claimed
EP-0461402-B1 Process for the preparation of substituted and unsubstituted 2,3-pyridinedicarboxylates from chloromaleate or chlorofumarate or mixtures thereof AMERICAN CYANAMID CO (US) 1998-07-15 EP claimed
CN-1038507-C Process for preparation of substituted and unsubstituted-2,3-pyridinedicarboxylates from chloromaleate or chlorofumarate or mixtures thereof AMERICAN CYANAMID CO (US) 1998-05-27 CN claimed
CN-1038414-C Process for preparation of dialkyl, pyridine-2,3-dicarboxylates and derivatives thereof from dialkyl dichlorosucciate AMERICAN CYANAMID CO (US) 1998-05-20 CN claimed
EP-0548522-B1 Process for the purification of 2,3-pyridine and quinolinedicarboxylic acid diester compounds AMERICAN CYANAMID CO (US) 1997-01-29 EP claimed
EP-0461403-A1 Process for the preparation of dialkyl pyridine-2,3-dicarboxylate and derivatives thereof from dialkyl dichlorosucciante AMERICAN CYANAMID COMPANY (US) 1991-12-18 EP claimed
EP-0461401-A1 Process for the preparation of dialkyl, pyridine-2,3-dicarboxylates and derivatives thereof from dialkyl dichloromaleate AMERICAN CYANAMID COMPANY (US) 1991-12-18 EP claimed
EP-0456504-A2 Process for preparing pyridinecarboxylic acid derivatives HOECHST CELANESE CORPORATION (US) 1991-11-13 EP claimed
US-5047542-A Reaction of ketoester with unsaturated aldehyde or ketone HOECHST CELANESE CORPORATION (US) 1991-09-10 US claimed
EP-0415767-A2 Process for preparing pyridine carboxylic acid derivatives HOECHST CELANESE CORPORATION (US) 1991-03-06 EP claimed
EP-0220518-B1 PREPARATION OF SUBSTITUTED AND DISUBSTITUTED PYRIDINE-2,3-DICARBOXYLATE ESTERS AMERICAN CYANAMID COMPANY (US) 1991-02-06 EP claimed
US-4871859-A REACTING KETOESTER WITH UNSATURATED ALDEHYDE OR KETONE AND AMMONIUM SALT IN SOLVENT AND DEHYDROGENATION CATALYST HOECHST CELANESE CORPORATION 1989-10-03 US claimed
WO-1989008103-A1 PROCESS FOR PREPARING PYRIDINE CARBOXYLIC ACID ESTERS HOECHST CELANESE CORPORATION (US) 1989-09-08 WO claimed
US-4723011-A ALPHA-HALO-BETA-KETOESTERS, ALPHA, BETA UNSATURATED KETONE OR ALDEHYDE, AMMONIUM SALT AMERICAN CYANAMID COMPANY (US) 1988-02-02 US claimed
EP-0220518-A2 Preparation of substituted and disubstituted pyridine-2,3-dicarboxylate esters AMERICAN CYANAMID COMPANY (US) 1987-05-06 EP claimed