SCHEMBL11709692

SCHEMBL11709692

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.37
SLC7A5 Q01650 1/20 0.37
CACNA2D1 P54289 2/20 0.36
CACNB3 P54284 1/20 0.36
CACNA1C Q13936 1/20 0.36
PGR P06401 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
CACNA2D2 Q9NY47 1/20 0.36
CTSK P43235 1/20 0.36
ALDH1A1 P00352 2/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
CPA1 P15085 2/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL11709703 0.84 CTSK (0.37) RNPEPSLC7A5CACNA2D1CACNB3CACNA1C
SCHEMBL10701307 0.82 CTSK (0.30) CTSK
SCHEMBL11706532 0.81 CTSK (0.38) RNPEPSLC7A5CACNA2D1CACNB3CACNA1C
SCHEMBL606964 0.80 RNPEP (0.43) RNPEPSLC7A5CACNA2D1CACNB3CACNA1C
SCHEMBL7053522 0.78 SLC1A3 (0.38) RNPEPSLC7A5CACNA2D1CACNB3CACNA1C
SCHEMBL10622543 0.77
SCHEMBL23174972 0.76 TSHR (0.46) RNPEPCTSKALDH1A1
SCHEMBL9876628 0.76 TSHR (0.46) CTSKALDH1A1
SCHEMBL609300 0.74 RNPEP (0.44) RNPEPSLC7A5CACNA2D1CACNB3CACNA1C
SCHEMBL28668648 0.74 CTSK (0.50) CTSKSLC1A3SLC1A2LMNA

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
US-4061704-A Tertiary-alkylperoxy alkyl carbonate initiators for hot air vulcanization of silicone rubber PPG INDUSTRIES, INC. (US) 1977-12-06 US disclosed