SCHEMBL4745168

SCHEMBL4745168

CC(=O)C(C)(C)O[PH](=O)OC(C)(C)C(C)=O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GAA P10253 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
SCHEMBL428737 0.81 GAA (0.31) GAA
SCHEMBL1549645 0.74 DGAT1 (0.39)
SCHEMBL28577139 0.69 GAA (0.38) GAA
SCHEMBL16761003 0.67 ALDH1A1 (0.30)
SCHEMBL1449319 0.67
SCHEMBL28731632 0.67
SCHEMBL5837076 0.67
SCHEMBL21693751 0.66 NPSR1 (0.35)
SCHEMBL331977 0.65 TDP1 (0.31)
SCHEMBL10253908 0.65 GAA (0.35) GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101563084-B 4-(1-amino-ethyl)-cyclohexylamine derivatives ACTELION PHARMACEUTICALS LTD 2013-02-20 CN disclosed
CN-101563084-A 4-(1-amino-ethyl)-cyclohexylamine derivatives ACTELION PHARMACEUTICALS LTD (CH) 2009-10-21 CN disclosed
WO-2008109104-A1 BIVALENT INHIBITORS OF AKT PROTEIN KINASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-09-12 WO disclosed