SCHEMBL3783223

SCHEMBL3783223

CC(C)CC(C)CC(=O)O.[Zr]

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.52
CACNB3 P54284 1/20 0.52
CACNA1C Q13936 1/20 0.52
PGR P06401 1/20 0.52
ADRA1A P35348 1/20 0.52
HTR2B P41595 1/20 0.52
CACNA2D2 Q9NY47 1/20 0.52
RNPEP Q9H4A4 1/20 0.42
SLC7A5 Q01650 1/20 0.42
MME P08473 2/20 0.40
SLC22A6 Q4U2R8 1/20 0.39
BHMT Q93088 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL968570 0.97 CACNA2D1 (0.54) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL5536469 0.97 CACNA2D1 (0.54) CACNA2D1CACNB3CACNA1CPGRADRA1A
Ammonia Solution, Strong SCHEMBL28027924 0.95 CACNA2D1 (0.52) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL2171052 0.92 CACNA2D1 (0.50) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL14359978 0.86 CACNA2D1 (0.46) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL2844937 0.83 CACNA2D1 (0.63) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL28709775 0.83 CACNA2D1 (0.42) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL258152 0.80 SLC22A6 (0.50) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL9562929 0.80 CACNA2D1 (0.40) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL27985207 0.80 FOLH1 (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A

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
US-7749947-B2 High performance rock bit grease SMITH INTERNATIONAL, INC. (US) 2010-07-06 US disclosed
US-20070254817-A1 High performance rock bit grease SMITH INTERNATIONAL, INC. (US) 2007-11-01 US disclosed
US-4555352-A A LEAD SOAP OF AN ORGANIC ACID, A DIESEL OIL, EXTREME PRESSURE POWER-AID INDUSTRIES (1980) LTD. (CA) 1985-11-26 US disclosed
US-4555352-A A LEAD SOAP OF AN ORGANIC ACID, A DIESEL OIL, EXTREME PRESSURE POWER-AID INDUSTRIES (1980) LTD. (CA) 1985-11-26 US disclosed