SCHEMBL4867035

SCHEMBL4867035

CC(C)C[C@H](N)C(=O)OC(=O)C[C@H](N)C(=O)OC(=O)[C@@H](N)CC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.48
SLC1A3 P43003 3/20 0.38
SLC1A2 P43004 3/20 0.38
ANPEP P15144 7/20 0.37
RNPEP Q9H4A4 3/20 0.37
DNPEP Q9ULA0 2/20 0.37
CACNA2D1 P54289 2/20 0.34
CACNB3 P54284 1/20 0.34
CACNA1C Q13936 1/20 0.34
PGR P06401 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
CACNA2D2 Q9NY47 1/20 0.34
LAP3 P28838 4/20 0.33
ERAP1 Q9NZ08 1/20 0.33
SLC1A1 P43005 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
LARS1 Q9P2J5 1/20 0.32

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
SCHEMBL10527497 0.96 SLC7A5 (0.45) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL16972731 0.91 SLC7A5 (0.64) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL995721 0.89 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL9100153 0.89 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL6136333 0.86 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL15655614 0.86 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL542258 0.86 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL464909 0.86 GRIK1 (0.31) SLC7A5
SCHEMBL4775852 0.84 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL17199754 0.84 GRIK1 (0.31) SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1084137-A1 PEPTIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2001-03-21 EP claimed
WO-1999064442-A1 PEPTIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI S.P.A. (IT) 1999-12-16 WO claimed
CN-104936605-A Activin-actrii antagonists and uses for treating bone and other disorders CELGENE CORP 2015-09-23 CN disclosed
EP-2900686-A1 AAV VECTORS TARGETED TO OLIGODENDROCYTES The University Of North Carolina At Chapel Hill (US) 2015-08-05 EP disclosed
US-7399847-B1 Nucleic acids encoding artificial P-selectin ligands THE GENERAL HOSPITAL CORPORATION (US) 2008-07-15 US disclosed
EP-0833650-A4 P-SELECTIN LIGANDS AND RELATED MOLECULES AND METHODS GEN HOSPITAL CORP (US) 2005-01-19 EP disclosed
WO-1999058640-A2 MCT-1, A HUMAN ONCOGENE PHILADELPHIA HEALTH AND EDUCATION CORPORATION (US) 1999-11-18 WO disclosed
EP-0833650-A1 P-SELECTIN LIGANDS AND RELATED MOLECULES AND METHODS THE GENERAL HOSPITAL CORPORATION (US) 1998-04-08 EP disclosed
WO-1997000079-A1 P-SELECTIN LIGANDS AND RELATED MOLECULES AND METHODS THE GENERAL HOSPITAL CORPORATION (US) 1997-01-03 WO disclosed