SCHEMBL5567906

SCHEMBL5567906

CCOC(=O)CC(=O)CC(O)CC(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.37
TRPA1 O75762 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC5 Q9UQL6 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
SCHEMBL2906592 0.85 MGAM (0.44) MGAMGAASIMGAM2L3MBTL1
SCHEMBL2912543 0.85 MGAM (0.44) MGAMGAASIMGAM2L3MBTL1
SCHEMBL2912840 0.85 MGAM (0.44) MGAMGAASIMGAM2L3MBTL1
SCHEMBL29309522 0.83 MGAM (0.38) MGAMGAASIMGAM2ALDH1A1
SCHEMBL15344 0.83 GAA (0.58) MGAMGAASIMGAM2L3MBTL1
SCHEMBL5563470 0.81 MGAM (0.41) MGAMGAASIMGAM2L3MBTL1
SCHEMBL31260805 0.81 GAA (0.56) MGAMGAASIMGAM2L3MBTL1
SCHEMBL14297014 0.80 GAA (0.50) MGAMGAASIMGAM2L3MBTL1
SCHEMBL17635506 0.77 GAA (0.47) MGAMGAASIMGAM2L3MBTL1
SCHEMBL29133365 0.76 GAA (0.45) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169890-B2 Process for the production of ramoplanin-like amide derivatives VICURON PHARMACEUTICALS INC. (US) 2007-01-30 US disclosed
US-20050106691-A1 Process for the production of ramoplanin-like amide derivatives VICURON PHARMACEUTICALS INC. (US) 2005-05-19 US disclosed
EP-1483286-A1 A PROCESS FOR THE PRODUCTION OF RAMOPLANIN-LIKE AMIDE DERIVATIVES Vicuron Pharmaceuticals, Inc. (US) 2004-12-08 EP disclosed
WO-2003076460-A1 A PROCESS FOR THE PRODUCTION OF RAMOPLANIN-LIKE AMIDE DERIVATIVES VICURON PHARMACEUTICALS INC. (US) 2003-09-18 WO disclosed