SCHEMBL5972500

SCHEMBL5972500

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

nearest known ligand 0.57

Predicted protein targets (top 18)

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
CA2 P00918 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.39
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
MAPT P10636 1/20 0.34

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
SCHEMBL5516291 0.87 CACNA2D1 (0.50) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL5509924 0.87 CACNA2D1 (0.50) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL5917730 0.83 CACNA2D1 (0.52) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL15274763 0.83 CACNA2D1 (0.47) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL466233 0.83 CACNA2D1 (0.52) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL16115927 0.81 CACNA2D1 (0.45) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3892422 0.80 CACNA2D1 (0.44) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL27752647 0.80 SLC7A5 (0.50) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL27752648 0.80 SLC7A5 (0.50) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL584099 0.80 SLC22A6 (0.56) CACNA2D1CACNB3CACNA1CSLC22A6TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1082359-B1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE SRL (IT) 2006-07-19 EP disclosed