SCHEMBL5085278

SCHEMBL5085278

CCCC[Si](C)(C)OCC1(CO[Si](C)(C)CCCC)c2ccccc2-c2ccc(F)cc21

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 12/20 0.38
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP19A1 P11511 1/20 0.32
NPSR1 Q6W5P4 1/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL5085385 0.93 PDK2 (0.40) PDK2
SCHEMBL5082307 0.88 CYP2C19 (0.36) PDK2CYP2C9CYP2C19CYP1A2CYP19A1
SCHEMBL5081787 0.87 PDK2 (0.41) PDK2
SCHEMBL5082439 0.84 PDK2 (0.37) PDK2
SCHEMBL5082272 0.83 CYP2C9 (0.33) PDK2CYP2C9CYP2C19CYP1A2CYP19A1
SCHEMBL5082215 0.83 PDK2 (0.44) PDK2HSD11B1
SCHEMBL5078657 0.82 CYP2C9 (0.33) PDK2CYP2C9CYP2C19NPSR1
SCHEMBL5084662 0.81 PDK2 (0.39) PDK2
SCHEMBL5084634 0.81 CYP2C9 (0.34) PDK2CYP2C9CYP2C19CYP1A2CYP19A1
SCHEMBL5082322 0.81 PDK2 (0.42) PDK2

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