SCHEMBL8416052

SCHEMBL8416052

CC(C)C1C/C=C/C[C@@H](C(C)C)C(=O)OC1=O

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.35
FNTA P49354 1/20 0.31
PGGT1B P53609 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
SCHEMBL3356044 1.00 TLR4 (0.35) TLR4FNTAPGGT1B
SCHEMBL8418442 1.00 TLR4 (0.35) TLR4FNTAPGGT1B
SCHEMBL3356045 1.00 TLR4 (0.35) TLR4FNTAPGGT1B
SCHEMBL8418476 1.00 TLR4 (0.35) TLR4FNTAPGGT1B
SCHEMBL16106168 1.00 TLR4 (0.35) TLR4FNTAPGGT1B
SCHEMBL8420444 1.00 TLR4 (0.35) TLR4FNTAPGGT1B
SCHEMBL8420445 1.00 TLR4 (0.35) TLR4FNTAPGGT1B
SCHEMBL3356049 1.00 TLR4 (0.35) TLR4FNTAPGGT1B
SCHEMBL16106169 1.00 TLR4 (0.35) TLR4FNTAPGGT1B
SCHEMBL8420604 0.86 L3MBTL1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2189442-B1 Process and intermediates for the preparation of aliskiren KRKA TOVARNA ZDRAVIL D D NOVO MESTO (SI) 2014-10-01 EP disclosed
EP-2189442-A1 Process and intermediates for the preparation of aliskiren Krka Tovarna Zdravil, D.D., Novo Mesto (SI) 2010-05-26 EP disclosed