SCHEMBL4063502

SCHEMBL4063502

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

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 2/20 0.34
CACNA2D1 P54289 2/20 0.33
RNPEP Q9H4A4 1/20 0.33
CACNB3 P54284 1/20 0.33
CACNA1C Q13936 1/20 0.33
PGR P06401 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
CACNA2D2 Q9NY47 1/20 0.33
SLC7A5 Q01650 1/20 0.33
FOLH1 Q04609 2/20 0.31
PSMB5 P28074 1/20 0.30

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
SCHEMBL4068198 0.83 ALDH1A1 (0.34) LAP3CACNA2D1RNPEPCACNB3CACNA1C
SCHEMBL4059399 0.79 CES2 (0.38) PSMB5
SCHEMBL7723377 0.78 LAP3 (0.36) LAP3CACNA2D1RNPEPCACNB3CACNA1C
SCHEMBL12199644 0.78
SCHEMBL1781745 0.76 LAP3 (0.36) LAP3CACNA2D1RNPEPCACNB3CACNA1C
SCHEMBL13461523 0.76 LAP3 (0.48) LAP3CACNA2D1RNPEPCACNB3CACNA1C
SCHEMBL14560234 0.76 LAP3 (0.36) LAP3CACNA2D1RNPEPCACNB3CACNA1C
SCHEMBL8072286 0.76 LAP3 (0.48) LAP3CACNA2D1RNPEPCACNB3CACNA1C
SCHEMBL13554957 0.76 ALDH1A1 (0.39) LAP3
SCHEMBL13554998 0.76 ALDH1A1 (0.39) LAP3

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
WO-2009123355-A2 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-08 WO disclosed