SCHEMBL14723988

SCHEMBL14723988

CCCCOC(=O)NC[C@@H]1COC(C)(C)O[C@H]1CSC

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.35
ADORA3 P0DMS8 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
SCHEMBL12894123 1.00 ACHE (0.35) ACHEADORA3
SCHEMBL12894134 0.87 ACHE (0.38) ACHE
SCHEMBL14723987 0.87 ACHE (0.38) ACHE
SCHEMBL4337430 0.80 CA2 (0.33) ADORA3
SCHEMBL12894133 0.79 ACHE (0.40) ACHE
SCHEMBL12894127 0.73 ACHE (0.35) ACHE
SCHEMBL14723992 0.72 CA2 (0.33)
SCHEMBL12880724 0.72 CA2 (0.33)
SCHEMBL12894122 0.68 ACHE (0.37) ACHE
SCHEMBL16145882 0.68 ACHE (0.50) ACHE

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
US-8383636-B2 Acyclic amine inhibitors of 5-methytioadenosine phosphorylase and nucleosidase INDUSTRIAL RESEARCH LIMITED (NZ) 2013-02-26 US disclosed