SCHEMBL15876359

SCHEMBL15876359

CC(C)(C)OC(=O)C(O)CCCC(O)C#N.N#CCCCC(=O)CC(=O)OO

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL1259884 0.82 CTSK (0.34) CTSSCTSK
SCHEMBL1260237 0.81 CTSS (0.30) CTSSCTSK
SCHEMBL23950300 0.75 CTSS (0.38) CTSSCTSK
SCHEMBL1259908 0.72 CTSK (0.38) CTSSCTSK
SCHEMBL1259909 0.66 HDAC3 (0.41) CTSSCTSK
SCHEMBL27008556 0.66 HDAC3 (0.37) CTSK
SCHEMBL27911439 0.65 MEN1 (0.34) CTSSCTSK
SCHEMBL14688156 0.65 MEN1 (0.34) CTSSCTSK
SCHEMBL1258946 0.65 MEN1 (0.34) CTSSCTSK
SCHEMBL9242626 0.65 GPR84 (0.42) CTSK

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
EP-2066788-B1 COMPOSITIONS AND METHODS FOR PRODUCING STEREOISOMERICALLY PURE STATINS AND SYNTHETIC INTERMEDIATES THEREFOR CODEXIS INC (US) 2014-07-23 EP disclosed