SCHEMBL7097431

SCHEMBL7097431

CCOC(=O)[C@H](CC(=O)c1ccccc1)N[C@@H](C)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
ACE P12821 7/20 0.44
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TACR1 P25103 1/20 0.41
ABCB11 O95342 1/20 0.41
MMP8 P22894 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL28547510 1.00 KMT2A (0.53) KMT2AMEN1NPC1ACELMNA
SCHEMBL8622468 1.00 KMT2A (0.53) KMT2AMEN1NPC1ACELMNA
SCHEMBL10735346 0.89 KMT2A (0.48) KMT2AMEN1NPC1ACELMNA
SCHEMBL14182572 0.89 KMT2A (0.48) KMT2AMEN1NPC1LMNASLC6A2
SCHEMBL27612566 0.86 KMT2A (0.40) KMT2AMEN1NPC1ACELMNA
SCHEMBL3370856 0.86 KMT2A (0.60) KMT2AMEN1NPC1ACELMNA
SCHEMBL3370862 0.86 KMT2A (0.60) KMT2AMEN1NPC1ACELMNA
SCHEMBL6025269 0.86 KMT2A (0.60) KMT2AMEN1NPC1ACELMNA
SCHEMBL9864576 0.86 POLB (0.48) KMT2ASLC6A2SLC6A3TDP1POLB
SCHEMBL10969556 0.85 TACR1 (0.53) ACELMNAL3MBTL1POLBTACR1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-5756812-A Process for the preparation of pure (S,S)-N-(1-ethoxycarbonyl-3-phenylpropyl) alanine DSM CHEMIE LINZ GMBH (AT) 1998-05-26 US claimed
EP-0789029-A2 Improved procedure for the preparation of pure(S,S)-N-(1-Ethoxycarbonyl-3-phenylprophyl)-alanin). DSM Chemie Linz GmbH (AT) 1997-08-13 EP claimed
CN-108147973-B Preparation method of N- [1- (S) -ethoxycarbonyl-3-phenylpropyl ] -L-alanine 凯莱英医药集团(天津)股份有限公司 2021-04-06 CN disclosed
US-7375245-B2 N-(4-oxo-butanoic acid) -L-amino acid-ester derivatives and methods of preparation thereof EVERLIGHT USA, INC. (US) 2008-05-20 US disclosed
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 disclosed
US-5756812-A Process for the preparation of pure (S,S)-N-(1-ethoxycarbonyl-3-phenylpropyl) alanine DSM CHEMIE LINZ GMBH (AT) 1998-05-26 US disclosed
EP-0789029-A2 Improved procedure for the preparation of pure(S,S)-N-(1-Ethoxycarbonyl-3-phenylprophyl)-alanin). DSM Chemie Linz GmbH (AT) 1997-08-13 EP disclosed