SCHEMBL3840238

SCHEMBL3840238

CCOC(=O)C(CCN[C@@H](C)C(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
MMP8 P22894 1/20 0.47
GAA P10253 1/20 0.43
CASR P41180 2/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 2/20 0.40
RECQL P46063 1/20 0.40
PIN1 Q13526 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC22A1 O15245 1/20 0.40
APAF1 O14727 1/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL9773126 1.00 SMN1; SMN2 (0.48) SMN1; SMN2MMP8GAACASRCYP1A2
SCHEMBL9363838 1.00 SMN1; SMN2 (0.48) SMN1; SMN2MMP8GAACASRCYP1A2
SCHEMBL6276114 1.00 SMN1; SMN2 (0.48) SMN1; SMN2MMP8GAACASRCYP1A2
SCHEMBL9773175 0.86 HSD17B10 (0.44) SMN1; SMN2MMP8CASRCYP1A2CYP2D6
SCHEMBL10603601 0.86 SMN1; SMN2 (0.43) SMN1; SMN2MMP8GAACASRTDP1
SCHEMBL9773237 0.86 HSD17B10 (0.44) SMN1; SMN2MMP8CASRCYP1A2CYP2D6
SCHEMBL8640339 0.84 SMN1; SMN2 (0.44) SMN1; SMN2MMP8GAACASRCYP1A2
SCHEMBL7257080 0.84 SMN1; SMN2 (0.46) SMN1; SMN2MMP8GAACASRCYP1A2
SCHEMBL20113912 0.81 MMP8 (0.50) SMN1; SMN2MMP8GAACASRTDP1
SCHEMBL9363415 0.81 EPHX1 (0.49) SMN1; SMN2CASRCYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2112992-A1 A PROCESS FOR THE PREPARATION OF -2-N [(S)-1-ETHOXYCARBONYL-3-PHENYLPROPYL]-(S)-ALANYL]-(1S, 3S, 5S)-2-AZABICYCLO [3.3.0] OCTANE-3-CARBOXYLIC ACID INSTYTUT FARMACEUTYCZNY (PL) 2009-11-04 EP claimed
WO-2006014916-A2 PREPARATION OF TRANDOLAPRIL DR. REDDY'S LABORATORIES LTD. (IN) 2006-02-09 WO claimed
WO-2005108366-A1 A PROCESS FOR THE PREPARATION OF 2-[N-­ [(S)-1-ETHOXYCARBONYL-3-PHENYLPROPYL]-(S)-ALANYL]-(1S, 3S, 5S) -2-AZABICYCLO [3.3.0] OCTANE-3­-CARBOXYLIC ACID INSTYTUT FARMACEUTYCZNY (PL) 2005-11-17 WO claimed
EP-0789029-B1 Improved procedure for the preparation of pure(S,S)-N-(1-Ethoxycarbonyl-3-phenylprophyl)-alanin). DSM FINE CHEM AUSTRIA GMBH (AT) 2003-09-10 EP claimed
EP-2044010-A1 NEW PHARMACEUTICAL INTERMEDIATES IN THE SYNTHESIS OF ACE- INHIBITORS AND THE USE THEREOF EGIS Gyógyszergyár Nyilvánosan Müködõ Részvénytársaság (HU) 2009-04-08 EP disclosed
WO-2007132277-A1 NEW PHARMACEUTICAL INTERMEDIATES IN THE SYNTHESIS OF ACE- INHIBITORS AND THE USE THEREOF EGIS GYÓGYSZERGYÁR Nyilvánosan Müködö Részvénytársaság (HU) 2007-11-22 WO disclosed
EP-1687271-A1 A METHOD FOR THE PREPARATION OF (2S, 3AR, 7AS)-OCTAHYDRO-1H-INDOLE-2-CARBOXYLIC ACID AS KEY INTERMEDIATE IN THE PREPARATION OF TRANDOLAPRIL BY REACTING A CYCLOHEXYL AZIRIDINE WITH A DIALKYL MALONATE Texcontor Etablissement (LI) 2006-08-09 EP disclosed
WO-2006027788-A1 PROCESS FOR THE PREPARATION OF N-CARBOXYANHYDRIDES BIOCON LIMITED (IN) 2006-03-16 WO disclosed
WO-2006014916-A2 PREPARATION OF TRANDOLAPRIL DR. REDDY'S LABORATORIES LTD. (IN) 2006-02-09 WO disclosed
WO-2005054194-A1 A METHOD FOR THE PREPARATION OF (2S, 3AR, 7AS)-OCTAHYDRO-1H-INDOLE-2-CARBOXYLIC ACID AS KEY INTERMEDIATE IN THE PREPARATION OF TRANDOLAPRIL BY REACTING A CYCLOHEXYL AZIRIDINE WITH A DIALKYL MALONATE TEXCONTOR ETABLISSEMENT (LI) 2005-06-16 WO disclosed
EP-1284957-A4 PURIFICATION METHOD OF N-(1(S)-ETHOXYCARBONYL-3-PHENYLPROPYL)-L-ALANINE KANEKA CORP (JP) 2004-12-29 EP disclosed
EP-1284957-A1 PURIFICATION METHOD OF N-(1(S)-ETHOXYCARBONYL-3-PHENYLPROPYL)-L-ALANINE KANEKA CORPORATION (JP) 2003-02-26 EP disclosed
US-5068351-A PROCESS FOR THE PREPARATION OF N OCTAHYDROPENTA (6) PYRROLE CARBOXYLATES HOECHST AKTIENGESELLSCHAFT (DE) 1991-11-26 US disclosed
EP-0112511-B1 NEW COMPOUNDS, PHARMACEUTICAL PREPARATIONS CONTAINING SAME AND PROCESS FOR THEIR PREPARATION RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-09-06 EP disclosed
CN-1003124-B Method for synthesizing ben butyl propylprolic acid 国家医药管理局上海医药工业研究院 1989-01-25 CN disclosed
EP-0135182-B1 PROCESS FOR THE PRODUCTION OF N-ALKYLATED DIPEPTIDES AND OF THEIR ESTERS HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-27 EP disclosed
US-4558038-A HYPOTENSIVE AGENTS USV PHARMACEUTICAL CORP. (US) 1985-12-10 US disclosed
EP-0135182-A2 Process for the production of N-alkylated dipeptides and of their esters HOECHST AKTIENGESELLSCHAFT (DE) 1985-03-27 EP disclosed
US-4496542-A HYPOTENSIVE AGENTS; ENZYME INHIBITORS USV PHARMACEUTICAL CORPORATION (US) 1985-01-29 US disclosed
EP-0112511-A2 New compounds, pharmaceutical preparations containing same and process for their preparation RORER INTERNATIONAL (OVERSEAS) INC. (US) 1984-07-04 EP disclosed