SCHEMBL721034

SCHEMBL721034

CCCCCCCOC(=O)C(CC)c1ccc(O)c(C(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
XBP1 P17861 1/20 0.51
ATM Q13315 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ESR1 P03372 1/20 0.42
AKR1C4 P17516 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
APP P05067 4/20 0.42

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
SCHEMBL721908 0.91 GAA (0.46) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL28435698 0.91 GAA (0.46) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL7640660 0.91 GAA (0.46) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL720021 0.91 GAA (0.46) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL721803 0.91 GAA (0.46) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL721804 0.87 ATM (0.47) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL9956554 0.86 GAA (0.49) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL31316557 0.86 GAA (0.49) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL28776760 0.86 ESR1 (0.45) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL28115085 0.85 L3MBTL1 (0.51) GAAXBP1ATMNPSR1L3MBTL1

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
US-20120053094-A1 Hydraulic oil composition NIPPON OIL CORPORATION 2012-03-01 US disclosed