SCHEMBL4789007

SCHEMBL4789007

CC(O)C1CCCC1(N)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
ATP1A1 P05023 2/20 0.33
ATP1B1 P05026 2/20 0.33
ATP1A3 P13637 2/20 0.33
ATP1B2 P14415 2/20 0.33
ATP1A2 P50993 2/20 0.33
ATP1B3 P54709 2/20 0.33
FXYD2 P54710 2/20 0.33
ATP1A4 Q13733 2/20 0.33
LMNA P02545 1/20 0.31
GPBAR1 Q8TDU6 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
SCHEMBL11457408 0.83
SCHEMBL11453062 0.77
SCHEMBL27728066 0.72 L3MBTL1 (0.32) L3MBTL1
SCHEMBL9023093 0.71 L3MBTL1 (0.38) L3MBTL1
SCHEMBL25660568 0.71 NR3C1 (0.38) GPBAR1
SCHEMBL11367702 0.71 ATP1A1 (0.34) L3MBTL1ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL11461026 0.68
SCHEMBL19446732 0.68 L3MBTL1 (0.32) L3MBTL1
SCHEMBL5839546 0.67
SCHEMBL11437916 0.66

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-2008124582-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 WO disclosed