SCHEMBL9073979

SCHEMBL9073979

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.39
ALDH1A1 P00352 2/20 0.32
GRIK1 P39086 1/20 0.32
TSHR P16473 1/20 0.31
SOAT1 P35610 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
BHMT Q93088 1/20 0.30

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
SCHEMBL21407700 0.78 KMT2A (0.44) SLC7A5ALDH1A1TSHR
SCHEMBL9074201 0.76 SLC7A5 (0.46) SLC7A5GRIK1SLC1A3SLC1A2SLC1A1
SCHEMBL28742074 0.75 SLC7A5 (0.46) SLC7A5ALDH1A1GRIK1SLC1A3SLC1A2
SCHEMBL28742077 0.75 SLC7A5 (0.46) SLC7A5ALDH1A1GRIK1SLC1A3SLC1A2
SCHEMBL4631190 0.74 SLC7A5 (0.50) SLC7A5ALDH1A1GRIK1SLC1A3SLC1A2
SCHEMBL23421923 0.73 SLC7A5 (0.44) SLC7A5GRIK1SLC1A3SLC1A2SLC1A1
SCHEMBL10583839 0.73 SLC7A5 (0.44) SLC7A5GRIK1SLC1A3SLC1A2SLC1A1
SCHEMBL497652 0.72 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2SLC1A1BHMT
SCHEMBL398726 0.72 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2SLC1A1BHMT
SCHEMBL75174 0.72 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2SLC1A1BHMT

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
US-5543397-A New N-acyl dipeptides and their use DEGUSSA AKTIENGESELLSCHAFT (DE) 1996-08-06 US disclosed
US-5534538-A N-acyl dipeptides and their compositions DEGUSSA AKTIENGESELLSCHAFT (DE) 1996-07-09 US disclosed