SCHEMBL4778462

SCHEMBL4778462

CCCCCCCCCCCCCCCCC(C)[C](C)CC(C)C[Si](OC)(OC)OC

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.38
CA1 P00915 2/20 0.37
FDPS P14324 3/20 0.33
LMNA P02545 2/20 0.33
ZDHHC7 Q9NXF8 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
FAAH O00519 1/20 0.33
GPR84 Q9NQS5 4/20 0.32
SMPD1 P17405 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
SCHEMBL4778464 0.76 GRIK1 (0.34) ACE2CA1LMNAZDHHC7SPHK1
SCHEMBL2541262 0.75 LMNA (0.45) ACE2CA1FDPSLMNAZDHHC7
SCHEMBL1534155 0.75 LMNA (0.45) ACE2CA1FDPSLMNAZDHHC7
SCHEMBL8949524 0.73 CA1 (0.48) ACE2CA1FDPSLMNASPHK1
SCHEMBL19532754 0.73 LMNA (0.34) ACE2CA1LMNA
SCHEMBL2793731 0.73 CA2 (0.39) CA1FDPSLMNAZDHHC7SPHK1
SCHEMBL14889287 0.73 LMNA (0.39) LMNAFAAHGPR84
SCHEMBL5078205 0.73 CA2 (0.39) CA1FDPSLMNAZDHHC7SPHK1
SCHEMBL3834370 0.73 LMNA (0.39) LMNAFAAHGPR84
SCHEMBL6391386 0.72 GPR84 (0.46) LMNAZDHHC7SPHK1GPR84

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
WO-2008004243-A2 IONIC ORGANOSILICON COMPOUNDS AND COMPOSITIONS THEREOF RANKA, SEEMA, AJAY (IN) 2008-01-10 WO claimed