SCHEMBL16005679

SCHEMBL16005679

c1ccc(O[Si](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.43
TSHR P16473 1/20 0.43
CA4 P22748 1/20 0.39
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
KCNA3 P22001 1/20 0.36
CA5A P35218 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
NR1H2 P55055 1/20 0.33
BAX Q07812 1/20 0.33
MAOA P21397 1/20 0.33
SOS1 Q07889 1/20 0.32
KMT2A Q03164 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RECQL P46063 1/20 0.32
SRC P12931 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL21694127 0.78 LTA4H (0.43) LTA4HTSHRCA4CA1CA2
SCHEMBL275158 0.73 LTA4H (0.50) LTA4HTSHRCA4CA1CA2
SCHEMBL11058298 0.69 TSHR (0.35) LTA4HTSHRCA4CA1CA2
SCHEMBL2989193 0.69 CA4 (0.41) LTA4HTSHRCA4CA1CA2
SCHEMBL22478812 0.69 LTA4H (0.45) LTA4HTSHRCA4CA1CA2
SCHEMBL702313 0.69 LTA4H (0.45) LTA4HTSHRCA4CA1CA2
SCHEMBL276553 0.69 CA4 (0.48) LTA4HTSHRCA4CA1CA2
SCHEMBL17385965 0.69 LTA4H (0.45) LTA4HTSHRCA4CA1CA2
SCHEMBL2979889 0.69 CA4 (0.48) LTA4HTSHRCA4CA1CA2
SCHEMBL705307 0.69 LTA4H (0.45) LTA4HTSHRCA4CA1CA2

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-1777239-B1 Half-metallocene catalyst and process for preparing syndiotactic styrene polymer using the same LG CHEMICAL LTD (KR) 2014-09-10 EP disclosed
CN-101319090-B Aryl(thio)ether aryl polysiloxane composition and methods for making and using same ROHM & HAAS 2012-07-18 CN disclosed
CN-101319090-A Aryl(thio)ether aryl polysiloxane composition and methods for making and using same ROHM & HAAS (US) 2008-12-10 CN disclosed