SCHEMBL5163368

SCHEMBL5163368

CCCC[C@@H](C)C[C@H](CC(=O)OCC)NC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 7/20 0.43
PLA2G2A P14555 3/20 0.36
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CTSK P43235 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL5163364 1.00 PLA2G2C (0.43) PLA2G2CPLA2G2AKMT2APOLBMGAM
SCHEMBL4205996 1.00 PLA2G2C (0.43) PLA2G2CPLA2G2AKMT2APOLBMGAM
SCHEMBL5327674 0.91 MGAM (0.37) PLA2G2CPLA2G2AKMT2APOLBMGAM
SCHEMBL4195616 0.91 MGAM (0.37) PLA2G2CPLA2G2AKMT2APOLBMGAM
SCHEMBL4936189 0.91 MGAM (0.37) PLA2G2CPLA2G2AKMT2APOLBMGAM
SCHEMBL5166981 0.91 MGAM (0.37) PLA2G2CPLA2G2AKMT2APOLBMGAM
SCHEMBL592891 0.86 PLA2G2C (0.53) PLA2G2CPLA2G2AKMT2APOLBMGAM
SCHEMBL4204036 0.85 MGAM (0.39) KMT2APOLBMGAMGAASI
SCHEMBL5180093 0.85 MGAM (0.39) KMT2APOLBMGAMGAASI
SCHEMBL4205637 0.82 PLA2G2C (0.44) PLA2G2CPLA2G2A

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-1768952-A2 PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN Warner-Lambert Company LLC (US) 2007-04-04 EP disclosed
WO-2006008612-A2 PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2006-01-26 WO disclosed