SCHEMBL1362000

SCHEMBL1362000

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
CYP2D6 P10635 1/20 0.37
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CTSK P43235 4/20 0.33
CTSS P25774 3/20 0.33
CCNB2 O95067 1/20 0.31
CCNE2 O96020 1/20 0.31
CDK1 P06493 1/20 0.31
CDK4 P11802 1/20 0.31
CCNB1 P14635 1/20 0.31
CCND1 P24385 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
CTSL P07711 1/20 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
SCHEMBL1361588 0.85 GAA (0.41) GAAMGAMSIMGAM2CYP2D6
Isobutane SCHEMBL27814501 0.85 GAA (0.48) GAAMGAMSIMGAM2CYP2D6
SCHEMBL82881 0.82 GAA (0.55) GAAMGAMSIMGAM2CYP2D6
SCHEMBL27883464 0.82 GAA (0.55) GAAMGAMSIMGAM2CYP2D6
SCHEMBL1359838 0.81 MGAM (0.62) GAAMGAMSIMGAM2CA7
SCHEMBL17433568 0.80 GAA (0.52) GAAMGAMSIMGAM2CYP2D6
Methane SCHEMBL20994672 0.80 GAA (0.52) GAAMGAMSIMGAM2CYP2D6
SCHEMBL20477589 0.80 GAA (0.52) GAAMGAMSIMGAM2CYP2D6
Hydrochloric Acid SCHEMBL8385588 0.80 GAA (0.52) GAAMGAMSIMGAM2CYP2D6
SCHEMBL5563734 0.80 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