SCHEMBL9716719

SCHEMBL9716719

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

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.43
RNPEP Q9H4A4 1/20 0.42
CPB2 Q96IY4 8/20 0.41
GABRR1 P24046 2/20 0.37
CPB1 P15086 1/20 0.35
FOLH1 Q04609 1/20 0.34
THRB P10828 1/20 0.33

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
SCHEMBL9716711 1.00 GSR (0.43) GSRRNPEPCPB2GABRR1CPB1
SCHEMBL9716598 0.95 GABRR1 (0.38) GSRRNPEPCPB2GABRR1
SCHEMBL9716592 0.95 GABRR1 (0.38) GSRRNPEPCPB2GABRR1
SCHEMBL21246737 0.89 GSR (0.42) GSRRNPEPCPB2GABRR1CPB1
SCHEMBL24312109 0.85 GSR (0.42) GSRRNPEPCPB2GABRR1CPB1
SCHEMBL9716843 0.83 GSR (0.46) GSRRNPEPCPB2GABRR1CPB1
SCHEMBL9716838 0.83 GSR (0.46) GSRRNPEPCPB2GABRR1CPB1
SCHEMBL1333344 0.83 GSR (0.46) GSRRNPEPCPB2GABRR1FOLH1
SCHEMBL4180146 0.83 GSR (0.46) GSRRNPEPCPB2GABRR1FOLH1
SCHEMBL4299640 0.82 GSR (0.48) GSRRNPEPCPB2GABRR1CPB1

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-0178911-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1992-01-22 EP disclosed
EP-0178911-A2 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1986-04-23 EP disclosed