SCHEMBL16667448

SCHEMBL16667448

C=C(C)C(=O)OCCC[Si](OCC)(OCC)OCC.CCCCCCCCCCCCCCCC[Si](OC)(OC)OC

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
THRB P10828 1/20 0.42
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NAAA Q02083 1/20 0.34
ALDH1A1 P00352 1/20 0.33
RAD52 P43351 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
EPHX1 P07099 1/20 0.33
ACHE P22303 6/20 0.32
DGKA P23743 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
SCHEMBL4440431 0.93 TSHR (0.51) TSHRTHRBPOLBAPEX1HTT
SCHEMBL2577166 0.93 TSHR (0.50) TSHRTHRBPOLBAPEX1HTT
SCHEMBL1643136 0.89 TSHR (0.51) TSHRTHRBPOLBAPEX1HTT
SCHEMBL3417371 0.89 TSHR (0.51) TSHRTHRBPOLBAPEX1HTT
SCHEMBL8901734 0.88 TSHR (0.45) TSHRTHRBPOLBAPEX1HTT
SCHEMBL5481563 0.88 TSHR (0.43) TSHRTHRBLMNAPOLBAPEX1
SCHEMBL340955 0.87 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL3192863 0.87 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL16223361 0.87 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL340848 0.87 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1628916-B1 PYROGENICALLY PREPARED, SURFACE MODIFIED ALUMINUM OXIDE EVONIK DEGUSSA GMBH (DE) 2015-04-29 EP claimed