SCHEMBL11328279

SCHEMBL11328279

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

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.34
SLC7A5 Q01650 1/20 0.34
MMP8 P22894 1/20 0.33
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 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
SCHEMBL27998744 0.74 FFAR4 (0.44) ALDH1A1
SCHEMBL17376951 0.73 RNPEP (0.40) RNPEPSLC7A5GRM2GRM3CACNA2D1
SCHEMBL21859002 0.73 RNPEP (0.36) RNPEPSLC7A5GRM2GRM3ALDH1A1
SCHEMBL20953993 0.72 MMP8 (0.35) MMP8GRM2GRM3ADRA1A
SCHEMBL27998691 0.71 PLA2G10 (0.41) ALDH1A1
SCHEMBL29066935 0.71 CACNA2D1 (0.41) RNPEPSLC7A5CACNA2D1CACNB3CACNA1C
SCHEMBL7438539 0.71 GRM2 (0.31) GRM2GRM3
SCHEMBL7436795 0.71 GRM2 (0.31) GRM2GRM3
SCHEMBL17376817 0.71 ALDH1A1 (0.34) GRM2GRM3ALDH1A1
SCHEMBL8735204 0.71 MMP8 (0.32) MMP8GRM2GRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4256741-A INSECTICIDES, MITICIDES, APHIDICIDES VELSICOL CHEMICAL CORPORATION (US) 1981-03-17 US disclosed
US-4226859-A INSECTICIDES VELSICOL CHEMICAL CORPORATION (US) 1980-10-07 US disclosed