SCHEMBL721804

SCHEMBL721804

CCC(C(=O)OCCCC(C)C)c1ccc(O)c(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.47
GAA P10253 1/20 0.47
XBP1 P17861 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
NR1I2 O75469 1/20 0.35
CYP2C9 P11712 1/20 0.35
MIF P14174 1/20 0.35
TYR P14679 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
NFE2L2 Q16236 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34

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
SCHEMBL721034 0.87 GAA (0.51) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL10920119 0.84 ATM (0.44) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL10918851 0.81 ATM (0.48) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL28115085 0.80 L3MBTL1 (0.51) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL7640660 0.78 GAA (0.46) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL721803 0.78 GAA (0.46) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL720021 0.78 GAA (0.46) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL28435698 0.78 GAA (0.46) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL721908 0.78 GAA (0.46) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL28876789 0.78 ATM (0.64) ATMGAAXBP1NPSR1L3MBTL1

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-20120053097-A1 Metal working oil composition NIPPON OIL CORPORATION 2012-03-01 US disclosed