SCHEMBL4222564

SCHEMBL4222564

N[C@@H](Cc1ccc(O)c(C(=O)[C@@H](N)Cc2cnc[nH]2)c1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.64
CYP3A4 P08684 1/20 0.64
HIF1A Q16665 2/20 0.51
KDM4E B2RXH2 1/20 0.51
USP2 O75604 1/20 0.51
EGFR P00533 1/20 0.51
LCK P06239 1/20 0.51
FYN P06241 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
ALOX15 P16050 1/20 0.51
PTGS1 P23219 1/20 0.51
HTR2A P28223 1/20 0.51
PTGS2 P35354 1/20 0.51
RECQL P46063 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
NLN Q9BYT8 3/20 0.46

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
Tyrosine SCHEMBL9243083 0.82 SLC7A5 (0.76) SLC7A5CYP3A4NLN
Histidine SCHEMBL28071764 0.80 CYP3A4 (1.00) SLC7A5CYP3A4KDM4E
Histidine SCHEMBL30852263 0.80 CYP3A4 (1.00) SLC7A5CYP3A4KDM4E
Histidine SCHEMBL19974306 0.80 CYP3A4 (1.00) SLC7A5CYP3A4KDM4E
D-Histidine SCHEMBL288043 0.80 CYP3A4 (1.00) SLC7A5CYP3A4KDM4E
Histidine SCHEMBL3260 0.80 CYP3A4 (1.00) SLC7A5CYP3A4KDM4E
Histidine SCHEMBL137600 0.80 CYP3A4 (1.00) SLC7A5CYP3A4KDM4E
Histidine SCHEMBL388560 0.80 CYP3A4 (1.00) SLC7A5CYP3A4KDM4E
Phenylalanine SCHEMBL28074950 0.79 SLC7A5 (0.80) SLC7A5CYP3A4HIF1APTGS1NLN
Histidine SCHEMBL27738090 0.79 CYP3A4 (0.90) SLC7A5CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2128619-A1 Detection of peptides Millipore Corporation (US) 2009-12-02 EP disclosed
EP-1320754-B1 DETECTION OF PEPTIDES MILLIPORE CORP (US) 2009-07-22 EP disclosed
US-6963807-B2 Automated identification of peptides OXFORD GLYCOSCIENCES (UK) LTD. (GB) 2005-11-08 US disclosed
US-20040253636-A1 Method of protein analysis OXFORD GLYCOSCIENCES (UK) LTD. (GB) 2004-12-16 US disclosed
WO-2004089301-A2 COMPOSITIONS, SPLICE VARIANTS AND METHODS RELATING TO COLON SPECIFIC GENES AND PROTEINS DIADEXUS, INC. (US) 2004-10-21 WO disclosed
EP-1432824-A2 COMPOSITIONS AND METHODS RELATING TO PROSTATE SPECIFIC GENES AND PROTEINS Diadexus, Inc. (US) 2004-06-30 EP disclosed
EP-1430307-A2 A METHOD OF PROTEIN ANALYSIS Oxford GlycoSciences (UK) Ltd, Attn: Mary Gadsden (GB) 2004-06-23 EP disclosed
WO-2003060146-A2 COMPOSITIONS AND METHODS RELATING TO URINARY SPECIFIC GENES AND PROTEINS DIADEXUS, INC. (US) 2003-07-24 WO disclosed
EP-1320754-A2 DETECTION OF PEPTIDES Oxford GlycoSciences (UK) Limited (GB) 2003-06-25 EP disclosed
EP-1317765-A2 AUTOMATED IDENTIFICATION OF PEPTIDES Oxford GlycoSciences (UK) Limited (GB) 2003-06-11 EP disclosed
WO-2003027681-A2 A METHOD OF PROTEIN ANALYSIS OXFORD GLYCOSCIENCES (UK) LTD (GB) 2003-04-03 WO disclosed
WO-2003020901-A2 COMPOSITIONS AND METHODS RELATING TO PROSTATE SPECIFIC GENES AND PROTEINS DIADEXUS, INC. (US) 2003-03-13 WO disclosed
US-20020102610-A1 Automated identification of peptides OXFORD GLYCOSCIENCES (UK) LTD. (GB) 2002-08-01 US disclosed
US-20020055186-A1 Detection of peptides OXFORD GLYCOSCIENCES (UK) LTD. 2002-05-09 US disclosed
WO-2002025287-A2 DETECTION OF PEPTIDES OXFORD GLYCOSCIENCES (UK) LTD. (GB) 2002-03-28 WO disclosed
WO-2002021139-A2 AUTOMATED IDENTIFICATION OF PEPTIDES OXFORD GLYCOSCIENCES (UK) LTD. (GB) 2002-03-14 WO disclosed