SCHEMBL11225485

SCHEMBL11225485

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.54
ANPEP P15144 7/20 0.44
RNPEP Q9H4A4 3/20 0.44
DNPEP Q9ULA0 3/20 0.44
ELANE P08246 1/20 0.44
SLC1A3 P43003 2/20 0.42
SLC1A2 P43004 2/20 0.42
LARS1 Q9P2J5 3/20 0.41
CACNA2D1 P54289 2/20 0.38
CACNB3 P54284 1/20 0.38
CACNA1C Q13936 1/20 0.38
PGR P06401 1/20 0.38
ADRA1A P35348 1/20 0.38
HTR2B P41595 1/20 0.38
CACNA2D2 Q9NY47 1/20 0.38
LAP3 P28838 2/20 0.37
ERAP1 Q9NZ08 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL11225491 1.00 SLC7A5 (0.54) SLC7A5ANPEPRNPEPDNPEPELANE
SCHEMBL7303261 0.84 PAOX (0.47) SLC7A5ANPEPRNPEPDNPEPELANE
SCHEMBL28866572 0.82 SLC7A5 (0.54) SLC7A5ANPEPRNPEPDNPEPELANE
SCHEMBL13499200 0.82 SLC7A5 (0.54) SLC7A5ANPEPRNPEPDNPEPELANE
SCHEMBL7406641 0.80 SLC7A5 (0.52) SLC7A5ANPEPRNPEPDNPEPELANE
SCHEMBL11048596 0.78 SLC7A5 (0.50) SLC7A5ANPEPRNPEPDNPEPELANE
SCHEMBL12857274 0.77 SLC7A5 (0.48) SLC7A5ANPEPRNPEPDNPEPELANE
SCHEMBL7303256 0.77 SLC7A5 (0.48) SLC7A5ANPEPRNPEPDNPEPELANE
SCHEMBL23966934 0.76 SLC7A5 (0.58) SLC7A5ANPEPRNPEPDNPEPELANE
SCHEMBL8837368 0.76 SLC7A5 (0.58) SLC7A5ANPEPRNPEPDNPEPELANE

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
JP-57074096-A None JP disclosed
JP-S5774096-A MEASUREMENT OF ENZYME ACTIVITY TOYO JOZO CO LTD 1982-05-10 JP disclosed