SCHEMBL9716642

SCHEMBL9716642

CCOC(=O)N(C(=O)OCC)[C@@H](CCCN)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CPB2 Q96IY4 6/20 0.41
GSR P00390 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RNPEP Q9H4A4 1/20 0.34
GABRR1 P24046 2/20 0.33
ALOX15 P16050 1/20 0.32
EPOR P19235 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 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
SCHEMBL9716651 1.00 CYP1A2 (0.42) CYP1A2CPB2GSRALDH1A1LMNA
SCHEMBL9716597 0.95 CPB2 (0.46) CYP1A2CPB2GSRALDH1A1LMNA
SCHEMBL9716594 0.95 CPB2 (0.46) CYP1A2CPB2GSRALDH1A1LMNA
SCHEMBL9716802 0.86 ALDH1A1 (0.38) CYP1A2CPB2GSRALDH1A1LMNA
SCHEMBL9716798 0.86 ALDH1A1 (0.38) CYP1A2CPB2GSRALDH1A1LMNA
SCHEMBL9716762 0.83 GSR (0.41) CPB2GSRRNPEPGABRR1EPOR
SCHEMBL9716760 0.83 GSR (0.41) CPB2GSRRNPEPGABRR1EPOR
SCHEMBL9716610 0.81 GSR (0.39) CPB2GSRALDH1A1RNPEPEPOR
SCHEMBL9716606 0.81 GSR (0.39) CPB2GSRALDH1A1RNPEPEPOR
SCHEMBL4182307 0.81 GABRR1 (0.41) CYP1A2CPB2GSRRNPEPGABRR1

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