SCHEMBL7216971

SCHEMBL7216971

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.38
RNPEP Q9H4A4 1/20 0.34
SLC7A5 Q01650 1/20 0.34
CACNA2D1 P54289 2/20 0.34
CACNB3 P54284 1/20 0.34
CACNA1C Q13936 1/20 0.34
PGR P06401 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
CACNA2D2 Q9NY47 1/20 0.34
TSHR P16473 2/20 0.31
CYP19A1 P11511 1/20 0.31
ALDH1A1 P00352 1/20 0.30
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
MME P08473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
LAP3 P28838 1/20 0.30

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
SCHEMBL12966300 0.86 PRKCA (0.38) MME
SCHEMBL7217575 0.86 CTSK (0.39) CTSKRNPEPSLC7A5CACNA2D1CACNB3
SCHEMBL19525758 0.83 TSHR (0.42) RNPEPSLC7A5CACNA2D1CACNB3CACNA1C
SCHEMBL2170393 0.83 CTSK (0.39) CTSKRNPEPSLC7A5CACNA2D1CACNB3
SCHEMBL7222915 0.83 TSHR (0.42) RNPEPSLC7A5CACNA2D1CACNB3CACNA1C
SCHEMBL7217921 0.83 CTSK (0.44) CTSKCACNA2D1CACNB3CACNA1CPGR
SCHEMBL7217067 0.80 CTSK (0.53) CTSKTSHRALDH1A1
SCHEMBL17878544 0.80 PRKCA (0.41) CTSKRNPEPADRA1AALDH1A1SMN1; SMN2
SCHEMBL7224829 0.79 CTSK (0.37) CTSKRNPEPSLC7A5CACNA2D1CACNB3
SCHEMBL7224932 0.78 CA1 (0.48) CTSKALDH1A1

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 4 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 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