SCHEMBL1044587

SCHEMBL1044587

CC(C)(C)OC(=O)N(CCC[C@@]1(C(=O)O)CCC[C@H]1O)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 7/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL3786759 0.90 CPB2 (0.38) CPB2
SCHEMBL1043662 0.82 CPB2 (0.34) CPB2
SCHEMBL1044351 0.82 CPB2 (0.34) CPB2
SCHEMBL6059855 0.73 AKT1 (0.33)
SCHEMBL6060651 0.72 AKT1 (0.37)
SCHEMBL6060680 0.71 AKT1 (0.38)
SCHEMBL1043822 0.70
SCHEMBL3786762 0.70 CPB2 (0.31) CPB2
SCHEMBL6060418 0.70 CYP1A2 (0.33)
SCHEMBL1044578 0.69

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-2272826-A1 2-mercaptopentancarboxylic acid derivatives, the method for preparing them and the pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2011-01-12 EP disclosed