SCHEMBL5727447

SCHEMBL5727447

CCC1(CCC(C)=O)Cc2c(ccc3c2ncn3C(=O)OC(C)(C)C)C1=O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 1/20 0.34
PIM1 P11309 1/20 0.30
MARK3 P27448 1/20 0.30
MAP4K2 Q12851 1/20 0.30
CAMK2B Q13554 1/20 0.30
PIM3 Q86V86 1/20 0.30
PIM2 Q9P1W9 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
SCHEMBL5726418 0.92 BUB1 (0.34) BUB1
SCHEMBL5725758 0.74 BUB1 (0.37) BUB1PIM1MARK3MAP4K2CAMK2B
SCHEMBL5873864 0.70 CCNB2 (0.45) BUB1
SCHEMBL15208125 0.64 L3MBTL1 (0.36) BUB1
SCHEMBL5414470 0.63 HSP90AA1 (0.38) BUB1PIM1MARK3MAP4K2CAMK2B
SCHEMBL6142331 0.62 HSP90AA1 (0.37) BUB1PIM1MARK3MAP4K2CAMK2B
SCHEMBL1161439 0.61 L3MBTL1 (0.41) BUB1PIM1MARK3MAP4K2CAMK2B
SCHEMBL28619984 0.61 BCHE (0.39) BUB1PIM1MARK3MAP4K2CAMK2B
SCHEMBL9982679 0.61 L3MBTL1 (0.44) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL7345451 0.61 STS (0.38)

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-1339683-B1 ESTROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2006-06-14 EP disclosed