SCHEMBL9730439

SCHEMBL9730439

CN(C)C(=O)[C@@H]1COC(C)(C)O1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 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
SCHEMBL883222 1.00 CA2 (0.32) CA2HCRTR1HCRTR2
SCHEMBL14935884 0.82 CA2 (0.32) CA2
SCHEMBL14935531 0.82 CA2 (0.32) CA2
SCHEMBL9729738 0.82 CA2 (0.32) CA2
SCHEMBL1826271 0.79 CA2 (0.35) CA2HCRTR1HCRTR2
SCHEMBL883211 0.79 CA2 (0.35) CA2HCRTR1HCRTR2
SCHEMBL3020689 0.79 CA2 (0.35) CA2HCRTR1HCRTR2
SCHEMBL8875465 0.77 CA2 (0.34) CA2HCRTR1HCRTR2
SCHEMBL1030223 0.77 HCRTR2 (0.39) CA2HCRTR1HCRTR2
SCHEMBL1030224 0.77 HCRTR2 (0.39) CA2HCRTR1HCRTR2

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-5110957-A PROCESS FOR PREPARING 1,3-DIOXOLANE KETONES SHELL RESEARCH LIMITED (GB) 1992-05-05 US disclosed