SCHEMBL2552363

SCHEMBL2552363

COc1cccc([Si](O)(c2cccc(OC)c2OC)c2cccc(OC)c2OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 3/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
NFE2L2 Q16236 5/20 0.43
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA12 O43570 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA4 P22748 1/20 0.42

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
SCHEMBL13027131 0.81 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EHSD17B10TP53MAPT
SCHEMBL10356448 0.81 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EHSD17B10TP53MAPT
SCHEMBL31443869 0.81 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EHSD17B10TP53MAPT
SCHEMBL2551189 0.80 CA1 (0.55) SMN1; SMN2KDM4EHSD17B10TP53MAPT
SCHEMBL29178172 0.79 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EHSD17B10TP53MAPT
SCHEMBL30738330 0.79 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EHSD17B10TP53MAPT
SCHEMBL12816517 0.79 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EHSD17B10TP53MAPT
SCHEMBL16167542 0.78 SMN1; SMN2 (0.44) SMN1; SMN2KDM4EHSD17B10TP53MAPT
SCHEMBL25434306 0.77 CA1 (0.61) SMN1; SMN2KDM4EHSD17B10TP53MAPT
SCHEMBL151213 0.77 CA1 (0.61) SMN1; SMN2KDM4EHSD17B10TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2556078-B1 CATALYSTS FOR ALKYNE METATHESIS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2014-09-24 EP disclosed
EP-2556078-A1 CATALYSTS FOR ALKYNE METATHESIS Studiengesellschaft Kohle MbH (DE) 2013-02-13 EP disclosed
WO-2011120508-A1 CATALYSTS FOR ALKYNE METATHESIS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2011-10-06 WO disclosed