SCHEMBL7723377

SCHEMBL7723377

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 2/20 0.36
FOLH1 Q04609 6/20 0.36
RNPEP Q9H4A4 1/20 0.35
SLC7A5 Q01650 1/20 0.35
CACNA2D1 P54289 2/20 0.35
CACNB3 P54284 1/20 0.35
CACNA1C Q13936 1/20 0.35
PGR P06401 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
CACNA2D2 Q9NY47 1/20 0.35
ALDH1A1 P00352 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
FFAR3 O14843 1/20 0.31
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

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
SCHEMBL19301334 0.80 FOLH1 (0.50) LAP3FOLH1RNPEPSLC7A5CACNA2D1
SCHEMBL4063502 0.78 LAP3 (0.34) LAP3FOLH1RNPEPSLC7A5CACNA2D1
SCHEMBL30741400 0.73 FFAR3 (0.36) ALDH1A1FFAR3MMP1MMP2MMP3
SCHEMBL609300 0.72 RNPEP (0.44) LAP3RNPEPSLC7A5CACNA2D1CACNB3
SCHEMBL28022769 0.71 FOLH1 (0.46) LAP3FOLH1RNPEPSLC7A5CACNA2D1
SCHEMBL606964 0.70 RNPEP (0.43) RNPEPSLC7A5CACNA2D1CACNB3CACNA1C
SCHEMBL12570564 0.67 RNPEP (0.39) RNPEPSLC7A5CACNA2D1CACNB3CACNA1C
SCHEMBL7806306 0.67 SLC7A5 (0.44) FOLH1RNPEPSLC7A5CACNA2D1CACNB3
SCHEMBL8850372 0.67 RNPEP (0.39) FOLH1RNPEPSLC7A5CACNA2D1CACNB3
SCHEMBL1166910 0.67 RNPEP (0.39) FOLH1RNPEPSLC7A5CACNA2D1CACNB3

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-6395894-B2 BACTERICIDES MERCK & CO., INC. 2002-05-28 US disclosed