SCHEMBL1812110

SCHEMBL1812110

COC(=O)C(CCl)NC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 1/20 0.42
PTGS2 P35354 1/20 0.42
THPO P40225 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CACNA1C Q13936 1/20 0.36

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
SCHEMBL4028312 1.00 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL24866254 1.00 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL6247529 0.83 CAD (0.43) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL22207692 0.83 KDM4E (0.39) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL12064309 0.82 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL12064029 0.82 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL12064041 0.82 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL13611400 0.81 KDM4E (0.41) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL5808266 0.80 TGFBR1 (0.44) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL4659641 0.80 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EMAPTTHRBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110642736-A Synthesis method of acetamido-3-methyl chloropropionate 湖北宇阳药业有限公司 2020-01-03 CN claimed
CN-104003894-B The preparation method of N-acetyl-β-chloro-ALANINE methyl esters ZHEJIANG JIAHUA CHEMICAL CO.,LTD. (CN) 2016-02-17 CN claimed
CN-104003894-A Method for preparing N-acetyl-beta-chlorine-L-alanine methyl ester ZHEJIANG JIAHUA CHEMICAL CO LTD 2014-08-27 CN claimed
CN-116425907-B Medical gel and application thereof in preparation of magnesium sulfate wet application 中国人民解放军总医院第七医学中心 2024-03-01 CN disclosed
EP-4265622-A1 ELECTROLYTE CONTAINING NITROGEN-BASED SALT STRUCTURE, PREPARATION METHOD THEREFOR AND USE THEREOF Beijing WeLion New Energy Technology Co., Ltd (CN) 2023-10-25 EP disclosed
CN-116425907-A Medical gel and application thereof in preparation of magnesium sulfate wet application 中国人民解放军总医院第七医学中心 2023-07-14 CN disclosed
CN-110642736-A Synthesis method of acetamido-3-methyl chloropropionate 湖北宇阳药业有限公司 2020-01-03 CN disclosed
CN-104710324-B A kind of method synthesizing scheme for lacosamide 华润双鹤药业股份有限公司 2016-08-31 CN disclosed
CN-104003894-B The preparation method of N-acetyl-β-chloro-ALANINE methyl esters ZHEJIANG JIAHUA CHEMICAL CO.,LTD. (CN) 2016-02-17 CN disclosed
CN-104003894-B The preparation method of N-acetyl-β-chloro-ALANINE methyl esters ZHEJIANG JIAHUA CHEMICAL CO.,LTD. (CN) 2016-02-17 CN disclosed
CN-104003894-B The preparation method of N-acetyl-β-chloro-ALANINE methyl esters ZHEJIANG JIAHUA CHEMICAL CO.,LTD. (CN) 2016-02-17 CN disclosed
US-4879403-A AMINATION, CRYSTALLIZATION HOECHST AKTIENGESELLSCHAFT (DE) 1989-11-07 US disclosed
US-4822894-A PURE CIS ENANTIOMERS OF FUSED PYRROLE RING CARBOXYLATES HOECHST AKTIENGESELLSCHAFT (DE) 1989-04-18 US disclosed
US-4727160-A HYPOTENSIVE INTERMEDIATES HOECHST AKTIENGESELLSCHAFT (DE) 1988-02-23 US disclosed
US-4714708-A Derivatives of cis, endo-2-azabicyclo[5.3.0]decane-3-carboxylic acid, and their use for treating hypertension HOECHST AKTIENGESELLSCHAFT (DE) 1987-12-22 US disclosed
US-4668796-A Racemates of optically active bicyclic imino-alpha-carboxylic esters HOECHST AKTIENGESELLSCHAFT (DE) 1987-05-26 US disclosed
EP-0150263-A1 Derivatives of cis, endo-2-azabicyclo-[3.3.0]-octane-3-carboxylic acid, process for their preparation, medicaments containing them, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1985-08-07 EP disclosed
EP-0115345-A1 Process for the resolution of racemic optically active bicyclic imino-alpha-carboxylic acid esters and use of the compounds obtainable in this way for the synthesis of carboxyalkyl dipeptides HOECHST AKTIENGESELLSCHAFT (DE) 1984-08-08 EP disclosed
EP-0111873-A1 Derivatives of cis, endo-2-azabicyclo-(5.3.0)-decane-3-carboxylic acid, process for their preparation, compositions containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1984-06-27 EP disclosed
EP-0079022-A2 Derivatives of cis, endo-2-azabicyclo-(3.3.0)-octane-3-carboxylic acid, process for their preparation, medicines containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1983-05-18 EP disclosed