SCHEMBL931730

SCHEMBL931730

CC(C)(C)CCC(Cl)C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
RIPK1 Q13546 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
Hydrochloric Acid SCHEMBL28367224 0.84 CA1 (0.31) CA1CA2
SCHEMBL23042499 0.79 PSEN1 (0.31)
SCHEMBL22091803 0.79 GRN (0.40) CA2GRNSORT1RIPK1
SCHEMBL28101648 0.77 CA1 (0.33) CA1CA2
SCHEMBL27610140 0.76 CA1 (0.37) CA1CA2GRNSORT1RIPK1
SCHEMBL9063 0.74 CA1 (0.35) CA1CA2GRNSORT1RIPK1
SCHEMBL13823388 0.74 CA1 (0.35) CA1CA2GRNSORT1RIPK1
SCHEMBL8417897 0.73
SCHEMBL18120595 0.73 CA1 (0.34) CA1CA2RIPK1
SCHEMBL9000037 0.72 CA1 (0.36) CA1CA2

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-2011000945-A2 AMINOALKAMIDES FOR USE IN THE TREATMENT OF INFLAMMATORY, DEGENERATIVE OR DEMYELINATING DISEASES OF THE CNS NENSIUS RESEARCH A/S (DK) 2011-01-06 WO disclosed