SCHEMBL7224829

SCHEMBL7224829

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.37
CACNA2D1 P54289 2/20 0.33
RNPEP Q9H4A4 1/20 0.33
CACNB3 P54284 1/20 0.33
CACNA1C Q13936 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PGR P06401 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
CACNA2D2 Q9NY47 1/20 0.33
SLC7A5 Q01650 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
PRKCA P17252 1/20 0.32
FOLH1 Q04609 2/20 0.31
TSHR P16473 2/20 0.30
ABCB1 P08183 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
SCHEMBL2170393 0.81 CTSK (0.39) CTSKCACNA2D1RNPEPCACNB3CACNA1C
SCHEMBL18176812 0.79
SCHEMBL7216971 0.79 CTSK (0.38) CTSKCACNA2D1RNPEPCACNB3CACNA1C
SCHEMBL10265323 0.79 PRKCA (0.44) SMN1; SMN2PRKCA
SCHEMBL10332032 0.79 PRKCA (0.44) SMN1; SMN2PRKCA
SCHEMBL7224912 0.76 CTSK (0.39) CTSKCACNA2D1RNPEPCACNB3CACNA1C
SCHEMBL7217575 0.76 CTSK (0.39) CTSKCACNA2D1RNPEPCACNB3CACNA1C
SCHEMBL19591865 0.74 SMN1; SMN2 (0.31) SMN1; SMN2PRKCA
SCHEMBL756656 0.73 TSHR (0.50) CTSKCACNA2D1RNPEPCACNB3CACNA1C
SCHEMBL7219275 0.72 CTSK (0.44) CTSKSMN1; SMN2ADRA1ATSHR

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