SCHEMBL28082201

SCHEMBL28082201

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
MMP8 P22894 2/20 0.39
SLC7A5 Q01650 1/20 0.39
CTSL P07711 1/20 0.37
CTSS P25774 2/20 0.36
LARS1 Q9P2J5 1/20 0.35
SCN9A Q15858 3/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
LAP3 P28838 3/20 0.35
ANPEP P15144 2/20 0.34
RNPEP Q9H4A4 2/20 0.34
DNPEP Q9ULA0 1/20 0.34

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
SCHEMBL2184616 1.00 MMP2 (0.39) MMP2MMP9MMP8SLC7A5CTSL
SCHEMBL2193200 0.92 SLC7A5 (0.45) SLC7A5LARS1SCN9AANPEPRNPEP
SCHEMBL29010817 0.92 SLC7A5 (0.45) SLC7A5LARS1SCN9AANPEPRNPEP
SCHEMBL21625553 0.92 SLC7A5 (0.45) SLC7A5LARS1SCN9AANPEPRNPEP
SCHEMBL29010766 0.92 SLC7A5 (0.45) SLC7A5LARS1SCN9AANPEPRNPEP
SCHEMBL7318989 0.92 SLC7A5 (0.45) SLC7A5LARS1SCN9AANPEPRNPEP
SCHEMBL2182485 0.92 PTPN1 (0.39) MMP2MMP9MMP8SLC7A5CTSL
SCHEMBL2182210 0.89 BACE1 (0.39) MMP2MMP9MMP8CTSL
SCHEMBL2182039 0.88 OPRK1 (0.42)
SCHEMBL2195069 0.88 OPRK1 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103965299-B A kind of ring pentapeptide and synthetic method thereof and application 暨南大学 2016-07-13 CN disclosed