SCHEMBL1361588

SCHEMBL1361588

CC(=O)CC(=O)OC(C)(C)C.CC(=O)CC(=O)OC(C)(C)C.CC(C)O[Al]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
CYP2D6 P10635 1/20 0.39
CA2 P00918 2/20 0.36
CA1 P00915 1/20 0.36
CA7 P43166 1/20 0.36
CTSK P43235 2/20 0.33
DGAT1 O75907 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CTSS P25774 1/20 0.31
CA12 O43570 2/20 0.31
CA14 Q9ULX7 2/20 0.31

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
Isobutane SCHEMBL27814501 0.88 GAA (0.48) GAAMGAMSIMGAM2CYP2D6
SCHEMBL82881 0.85 GAA (0.55) GAAMGAMSIMGAM2CYP2D6
SCHEMBL27883464 0.85 GAA (0.55) GAAMGAMSIMGAM2CYP2D6
SCHEMBL1362000 0.85 GAA (0.39) GAAMGAMSIMGAM2CYP2D6
SCHEMBL17433582 0.83 GAA (0.52) GAAMGAMSIMGAM2CYP2D6
SCHEMBL20477589 0.83 GAA (0.52) GAAMGAMSIMGAM2CYP2D6
SCHEMBL17433568 0.83 GAA (0.52) GAAMGAMSIMGAM2CYP2D6
Methane SCHEMBL20994672 0.83 GAA (0.52) GAAMGAMSIMGAM2CYP2D6
Hydrochloric Acid SCHEMBL8385588 0.83 GAA (0.52) GAAMGAMSIMGAM2CYP2D6
SCHEMBL17433553 0.83 GAA (0.52) GAAMGAMSIMGAM2CYP2D6

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