SCHEMBL21789031

SCHEMBL21789031

CC(C)(C)[Si](C)(C)OC[C@@H]1CC2(C(=O)O)CC1C2

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.33
PPM1D O15297 1/20 0.31
HSD11B1 P28845 1/20 0.31
HSD11B2 P80365 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
SCHEMBL21789060 0.85 HSD11B1 (0.31) TOP2AHSD11B1
SCHEMBL21788880 0.82 TOP2A (0.40) TOP2AHSD11B1HSD11B2
SCHEMBL31106922 0.74 TOP2A (0.32) TOP2APPM1D
SCHEMBL23389527 0.71 GABRR1 (0.46) TOP2A
SCHEMBL20919668 0.70 TOP2A (0.35) TOP2A
SCHEMBL16407751 0.70 TOP2A (0.35) TOP2A
SCHEMBL25354793 0.68
SCHEMBL21830040 0.68 CYP4F2 (0.33)
SCHEMBL10403720 0.67
SCHEMBL30782109 0.67 FKBP1A (0.30)

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
WO-2020047447-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. (US) 2020-03-05 WO disclosed