SCHEMBL16459152

SCHEMBL16459152

CCCCc1cn(CCOC2CCCCO2)c(C2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
THRB P10828 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.36
GPR119 Q8TDV5 5/20 0.36
FAAH O00519 1/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL16457270 0.95 THRB (0.37) MAPTTHRBKDM4ESMN1; SMN2GAA
SCHEMBL9894518 0.91 GPR119 (0.38) MAPTTHRBKDM4ESMN1; SMN2GAA
SCHEMBL16457441 0.90 KDM4E (0.40) MAPTTHRBKDM4ESMN1; SMN2GAA
SCHEMBL1662349 0.87 THRB (0.36) MAPTTHRBKDM4ESMN1; SMN2GAA
SCHEMBL16457583 0.86 KDM4E (0.39) MAPTTHRBKDM4ESMN1; SMN2GAA
SCHEMBL9927820 0.86 GPR119 (0.40) MAPTTHRBKDM4ESMN1; SMN2GAA
SCHEMBL2063669 0.86 THRB (0.38) MAPTTHRBKDM4ESMN1; SMN2GAA
SCHEMBL16457523 0.85 GPR119 (0.38) MAPTTHRBKDM4ESMN1; SMN2GAA
SCHEMBL16457318 0.84 HDAC4 (0.38) MAPTTHRBKDM4ESMN1; SMN2GAA
SCHEMBL16457157 0.84 TP53 (0.44) MAPTTHRBKDM4ESMN1; SMN2GAA

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-2491032-B1 AKT INHIBITORS LILLY CO ELI (US) 2014-04-16 EP disclosed