SCHEMBL19644591

SCHEMBL19644591

CC(C)(C)OCP(C)(C)=O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 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
SCHEMBL15235890 0.78 CA2 (0.35) ALDH1A1MAPK1
SCHEMBL18308908 0.76 ALDH1A1 (0.30) ALDH1A1
SCHEMBL7864131 0.74 GRM4 (0.37) ALDH1A1MAPK1
SCHEMBL9961597 0.72
SCHEMBL9965192 0.72
SCHEMBL13567524 0.69 TSHR (0.50)
SCHEMBL17036715 0.69 GABBR2 (0.37) MAPK1
SCHEMBL20175273 0.67 CA2 (0.31)
SCHEMBL17036730 0.66 TSHR (0.41)
SCHEMBL264508 0.65

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-9828409-B2 Bridged-cyclo-ProTides as prodrugs of therapeutic nucleosides and nucleotides ZHONG MINGHONG (US) 2017-11-28 US disclosed