SCHEMBL5084634

SCHEMBL5084634

CCCC[Si](C)(C)OCC1(COCCC)c2ccccc2-c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.34
CYP2C19 P33261 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
PDK2 Q15119 4/20 0.34
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CNR2 P34972 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP19A1 P11511 1/20 0.32

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
SCHEMBL5081723 0.92 PDK2 (0.33) CYP2C9CYP2C19NPSR1PDK2
SCHEMBL5082307 0.92 CYP2C19 (0.36) CYP2C9CYP2C19NPSR1PDK2MEN1
SCHEMBL5078657 0.91 CYP2C9 (0.33) CYP2C9CYP2C19NPSR1PDK2MEN1
SCHEMBL5081777 0.88 PDK2 (0.33) CYP2C9CYP2C19NPSR1PDK2MEN1
SCHEMBL5082272 0.86 CYP2C9 (0.33) CYP2C9CYP2C19NPSR1PDK2MEN1
SCHEMBL5080891 0.86 CYP2C9 (0.30) CYP2C9CYP2C19NPSR1PDK2
SCHEMBL5084607 0.85 PDK2 (0.35) CYP2C9CYP2C19NPSR1PDK2MEN1
SCHEMBL5082331 0.83 CYP2C9 (0.32) CYP2C9CYP2C19NPSR1PDK2MEN1
SCHEMBL5078725 0.83 APEX1 (0.34) CYP2C9CYP2C19NPSR1PDK2MEN1
SCHEMBL20995933 0.83 PDK2 (0.40) CYP2C9CYP2C19NPSR1PDK2MEN1

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
US-20060142146-A1 Catalyst for olefin polymerization and use of the same CHINA PETROLEUM & CHEMICAL CORPORATION 2006-06-29 US claimed
US-7323431-B2 Catalyst for olefin polymerization and use of the same CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2008-01-29 US disclosed
US-20060142146-A1 Catalyst for olefin polymerization and use of the same CHINA PETROLEUM & CHEMICAL CORPORATION 2006-06-29 US disclosed