SCHEMBL7224543

SCHEMBL7224543

CCCCC(CC)C(=O)OC(CC(C)C)CC(C)C

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.58
CA1 P00915 4/20 0.58
CTSK P43235 4/20 0.50
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 2/20 0.39
GAA P10253 1/20 0.39
XBP1 P17861 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
BIRC2 Q13490 2/20 0.38
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL7219308 0.93 CA2 (0.50) CA2CA1CTSKMAPK1SLC1A2
SCHEMBL7217293 0.89 CA2 (0.43) CA2CA1CTSKMAPK1NPSR1
SCHEMBL7224912 0.85 CTSK (0.39) CA2CA1CTSKSLC1A3SLC1A2
SCHEMBL4286403 0.82 CA2 (0.61) CA2CA1MAPK1L3MBTL1ATM
SCHEMBL7217067 0.82 CTSK (0.53) CA2CA1CTSKMAPK1ATM
SCHEMBL7219275 0.82 CTSK (0.44) CA2CA1CTSKNPSR1SLC1A3
SCHEMBL332832 0.82 CA2 (0.66) CA2CA1MAPK1L3MBTL1ATM
SCHEMBL11463252 0.82 CA2 (0.66) CA2CA1CTSKMAPK1L3MBTL1
SCHEMBL535672 0.81 CA2 (0.59) CA2CA1MAPK1L3MBTL1ATM
SCHEMBL1274961 0.81 CA2 (0.59) CA2CA1MAPK1L3MBTL1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1190477-C Lubrication oil for refrigerator, hydraulic fluid compoistion for refrigerator and method for lubrication of refrigerator NEW JAPAN CHEMICALS CO LTD (JP) 2005-02-23 CN claimed
US-6667285-B1 Branched-chain carboxylic acid monoalkyl ester with outstanding hydrolytic stability NEW JAPAN CHEMICAL CO., LTD. (JP) 2003-12-23 US claimed
EP-1225213-A1 LUBRICATING OIL FOR REFRIGERATOR, HYDRAULIC FLUID COMPOSITION FOR REFRIGERATOR AND METHOD FOR LUBRICATION OF REFRIGERATOR NEW JAPAN CHEMICAL CO.,LTD. (JP) 2002-07-24 EP claimed
CN-1349555-A Lubrication oil for refrigerator, hydraulic fluid compoistion for refrigerator and method for lubrication of refrigerator NEW JAPAN CHEMICALS CO LTD (JP) 2002-05-15 CN claimed
CN-1190477-C Lubrication oil for refrigerator, hydraulic fluid compoistion for refrigerator and method for lubrication of refrigerator NEW JAPAN CHEMICALS CO LTD (JP) 2005-02-23 CN disclosed
US-6667285-B1 Branched-chain carboxylic acid monoalkyl ester with outstanding hydrolytic stability NEW JAPAN CHEMICAL CO., LTD. (JP) 2003-12-23 US disclosed
EP-1225213-A1 LUBRICATING OIL FOR REFRIGERATOR, HYDRAULIC FLUID COMPOSITION FOR REFRIGERATOR AND METHOD FOR LUBRICATION OF REFRIGERATOR NEW JAPAN CHEMICAL CO.,LTD. (JP) 2002-07-24 EP disclosed
CN-1349555-A Lubrication oil for refrigerator, hydraulic fluid compoistion for refrigerator and method for lubrication of refrigerator NEW JAPAN CHEMICALS CO LTD (JP) 2002-05-15 CN disclosed