SCHEMBL5079013

SCHEMBL5079013

NCCCC[C@@H](C(=O)O)N(N=C=O)N=C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.44
RNPEP Q9H4A4 1/20 0.43
CPB2 Q96IY4 7/20 0.40
FOLH1 Q04609 1/20 0.35
CYP2D6 P10635 1/20 0.32
NFKB1 P19838 1/20 0.32
CPB1 P15086 1/20 0.32
EPOR P19235 2/20 0.32
BLM P54132 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PLG P00747 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
SLC6A2 P23975 1/20 0.31
RECQL P46063 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL20261995 1.00 GSR (0.44) GSRRNPEPCPB2FOLH1CYP2D6
SCHEMBL132632 0.83 GSR (0.34) GSRRNPEPCPB2
SCHEMBL495076 0.81 EPOR (0.44) GSRRNPEPCPB2EPOR
SCHEMBL1446225 0.80 CPB2 (0.47) GSRRNPEPCPB2EPOR
SCHEMBL1446701 0.80 CPB2 (0.47) GSRRNPEPCPB2EPOR
SCHEMBL28765801 0.74 GSR (0.54) GSRRNPEPCPB2FOLH1CYP2D6
SCHEMBL1854667 0.74 GSR (0.54) GSRRNPEPCPB2FOLH1CYP2D6
SCHEMBL1854666 0.74 GSR (0.54) GSRRNPEPCPB2FOLH1CYP2D6
SCHEMBL4299640 0.73 GSR (0.48) GSRRNPEPCPB2FOLH1CYP2D6
SCHEMBL4299915 0.73 GSR (0.48) GSRRNPEPCPB2FOLH1CYP2D6

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
EP-0693294-B1 Bioabsorbable branched polymers containing units derived from dioxanone and medical/surgical devices manufactured therefrom UNITED STATES SURGICAL CORP (US) 2008-10-15 EP claimed