SCHEMBL721288

SCHEMBL721288

CCCCC(CC)COC(=O)C(CC(C)(C)C)c1ccc(O)c(C(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
GAA P10253 1/20 0.51
XBP1 P17861 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
LMNA P02545 4/20 0.46
ALDH1A1 P00352 6/20 0.44
CYP3A4 P08684 4/20 0.44
CA2 P00918 1/20 0.44
TSHR P16473 3/20 0.42
MAPK1 P28482 3/20 0.42
HSD17B10 Q99714 2/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
RECQL P46063 1/20 0.37
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
ESRRA P11474 1/20 0.32

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
SCHEMBL28429168 0.88 LMNA (0.46) ATML3MBTL1GAAXBP1NPSR1
SCHEMBL490318 0.86 ATM (0.54) ATML3MBTL1GAAXBP1NPSR1
SCHEMBL28115085 0.84 L3MBTL1 (0.51) ATML3MBTL1GAAXBP1NPSR1
SCHEMBL7640660 0.82 GAA (0.46) ATML3MBTL1GAAXBP1NPSR1
SCHEMBL721908 0.82 GAA (0.46) ATML3MBTL1GAAXBP1NPSR1
SCHEMBL28435698 0.82 GAA (0.46) ATML3MBTL1GAAXBP1NPSR1
SCHEMBL720021 0.82 GAA (0.46) ATML3MBTL1GAAXBP1NPSR1
SCHEMBL721803 0.82 GAA (0.46) ATML3MBTL1GAAXBP1NPSR1
SCHEMBL28853653 0.81 ATM (0.43) ATML3MBTL1GAAXBP1NPSR1
SCHEMBL2520116 0.78 ATM (0.40) ATML3MBTL1GAAXBP1NPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107532834-B Refrigerant circulation device and refrigerant circulation method 三菱重工制冷空调系统株式会社 2020-06-19 CN disclosed
US-20120053097-A1 Metal working oil composition NIPPON OIL CORPORATION 2012-03-01 US disclosed