SCHEMBL1360050

SCHEMBL1360050

CCOC(=O)CC(C)=O.CCOC(=O)CC(C)=O.COCC(C)O[Zr]OC(C)COC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
MGAM O43451 2/20 0.42
SI P14410 2/20 0.42
MGAM2 Q2M2H8 2/20 0.42
LMNA P02545 2/20 0.35
ALDH1A1 P00352 3/20 0.32
TRPA1 O75762 1/20 0.32
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL2586879 0.85 GAA (0.47) GAAMGAMSIMGAM2LMNA
SCHEMBL5480797 0.83 MGAM (0.44) GAAMGAMSIMGAM2LMNA
SCHEMBL1360856 0.82 GAA (0.50) GAAMGAMSIMGAM2LMNA
SCHEMBL1360806 0.81 GAA (0.42) GAAMGAMSIMGAM2LMNA
SCHEMBL1359738 0.79 GAA (0.47) GAAMGAMSIMGAM2LMNA
Acetic Acid SCHEMBL5480802 0.78 MGAM (0.45) GAAMGAMSIMGAM2LMNA
Water SCHEMBL28104106 0.77 GAA (0.70) GAAMGAMSIMGAM2LMNA
Isopropyl Alcohol SCHEMBL17433507 0.76 GAA (0.56) GAAMGAMSIMGAM2LMNA
SCHEMBL1362058 0.76 GAA (0.56) GAAMGAMSIMGAM2LMNA
SCHEMBL1360821 0.76 GAA (0.47) GAAMGAMSIMGAM2LMNA

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
US-8067508-B2 Compositions consisting of partially silyl-terminated polymers HENKEL AG & CO. KGAA (DE) 2011-11-29 US disclosed
US-20100081757-A1 COMPOSITIONS CONSISTING OF PARTIALLY SILYL-TERMINATED POLYMERS HENKEL AG & CO. KGAA (DE) 2010-04-01 US disclosed