SCHEMBL4288529

SCHEMBL4288529

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.48
ANPEP P15144 6/20 0.41
ERAP1 Q9NZ08 2/20 0.41
PTGS1 P23219 1/20 0.41
SLC7A11 Q9UPY5 1/20 0.41
ERAP2 Q6P179 1/20 0.41
ENPEP Q07075 3/20 0.38
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
RNPEP Q9H4A4 3/20 0.37
DNPEP Q9ULA0 1/20 0.37
LAP3 P28838 2/20 0.33
FNTA P49354 1/20 0.33
PGGT1B P53609 1/20 0.33
SLC1A1 P43005 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
SCHEMBL9100153 0.89 SLC7A5 (0.58) SLC7A5ANPEPERAP1SLC1A3SLC1A2
SCHEMBL995721 0.89 SLC7A5 (0.58) SLC7A5ANPEPERAP1SLC1A3SLC1A2
Threonine SCHEMBL3495953 0.87 SLC7A5 (0.46) SLC7A5ANPEPERAP1PTGS1SLC7A11
SCHEMBL1964879 0.85 PTGS1 (0.55) ANPEPPTGS1SLC7A11ENPEP
SCHEMBL20657045 0.85 PTGS1 (0.55) ANPEPPTGS1SLC7A11ENPEP
SCHEMBL7676359 0.83 SLC7A5 (0.52) SLC7A5ANPEPERAP1SLC1A3SLC1A2
SCHEMBL1585736 0.83 SLC7A5 (0.52) SLC7A5ANPEPERAP1SLC1A3SLC1A2
SCHEMBL14485413 0.83 SLC7A5 (0.52) SLC7A5ANPEPERAP1SLC1A3SLC1A2
SCHEMBL7361839 0.83 SLC7A5 (0.52) SLC7A5ANPEPERAP1SLC1A3SLC1A2
SCHEMBL1675943 0.83 PTGS1 (0.44) SLC7A5ANPEPERAP1PTGS1SLC7A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2018156-A1 COMPOSITIONS AND METHODS FOR TREATING B- CELL MALIGNANCIES Chimeros, Inc. (US) 2009-01-28 EP disclosed
WO-2008108776-A1 COMPOSITIONS AND METHODS FOR TREATING B- CELL MALIGNANCIES CHIMEROS, INC. (US) 2008-09-12 WO disclosed