SCHEMBL5280027

SCHEMBL5280027

CCCC(C)C(C)C(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
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.32
CYP1A2 P05177 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
SCHEMBL4989345 1.00 MGAM (0.37) MGAMGAASIMGAM2L3MBTL1
SCHEMBL4450222 1.00 MGAM (0.37) MGAMGAASIMGAM2L3MBTL1
SCHEMBL4452755 0.89 MGAM (0.41) MGAMGAASIMGAM2L3MBTL1
SCHEMBL6404270 0.89 MGAM (0.41) MGAMGAASIMGAM2L3MBTL1
SCHEMBL4989784 0.89 MGAM (0.41) MGAMGAASIMGAM2L3MBTL1
SCHEMBL4940668 0.81 ALDH1A1 (0.34) POLBALDH1A1MAPTCYP1A2
SCHEMBL4940673 0.81 ALDH1A1 (0.34) POLBALDH1A1MAPTCYP1A2
SCHEMBL4564435 0.80 MGAM (0.45) MGAMGAASIMGAM2L3MBTL1
SCHEMBL1405748 0.76 MGAM (0.43) MGAMGAASIMGAM2L3MBTL1
SCHEMBL18828587 0.75 MGAM (0.44) 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