SCHEMBL3355253

SCHEMBL3355253

CC(C)[C@H](C/C=C/C[C@H](C(=O)Cl)C(C)C)C(=O)Cl

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 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
SCHEMBL3355257 1.00 SLC1A3 (0.32) SLC1A3SLC1A2SLC1A1
SCHEMBL10119429 0.89 GRIK1 (0.36)
SCHEMBL28626659 0.89 GRIK1 (0.36)
SCHEMBL4449229 0.86
SCHEMBL2997282 0.81 MMP1 (0.35) SLC1A3SLC1A2SLC1A1
SCHEMBL11141173 0.81 SLC1A3 (0.30) SLC1A3SLC1A2SLC1A1
SCHEMBL2997284 0.81 MMP1 (0.35) SLC1A3SLC1A2SLC1A1
SCHEMBL11137107 0.78
SCHEMBL8101229 0.77 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1
SCHEMBL2035309 0.77 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1

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