SCHEMBL5327674

SCHEMBL5327674

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
PLA2G2C Q5R387 6/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
CNR2 P34972 1/20 0.33
PLA2G2A P14555 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL5166981 1.00 MGAM (0.37) MGAMGAASIMGAM2PLA2G2C
SCHEMBL4195616 1.00 MGAM (0.37) MGAMGAASIMGAM2PLA2G2C
SCHEMBL4936189 1.00 MGAM (0.37) MGAMGAASIMGAM2PLA2G2C
SCHEMBL5163364 0.91 PLA2G2C (0.43) MGAMGAASIMGAM2PLA2G2C
SCHEMBL5163368 0.91 PLA2G2C (0.43) MGAMGAASIMGAM2PLA2G2C
SCHEMBL4205996 0.91 PLA2G2C (0.43) MGAMGAASIMGAM2PLA2G2C
SCHEMBL5180093 0.88 MGAM (0.39) MGAMGAASIMGAM2L3MBTL1
SCHEMBL4204036 0.88 MGAM (0.39) MGAMGAASIMGAM2L3MBTL1
SCHEMBL1405748 0.85 MGAM (0.43) MGAMGAASIMGAM2PLA2G2C
SCHEMBL4156137 0.84 CNR2 (0.42) MGAMGAASIMGAM2L3MBTL1

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-1863780-A1 PREPARATION OF OPTICALLY PURE BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN Pharmacia & Upjohn Company LLC (US) 2007-12-12 EP disclosed
WO-2006100568-A1 PREPARATION OF OPTICALLY PURE BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN PHARMACIA & UPJOHN COMPANY LLC (US) 2006-09-28 WO disclosed