SCHEMBL14213288

SCHEMBL14213288

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
PGD P52209 1/20 0.37
CACNA2D1 P54289 2/20 0.34
CACNB3 P54284 1/20 0.34
CACNA1C Q13936 1/20 0.34
PGR P06401 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
CACNA2D2 Q9NY47 1/20 0.34
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
CTSK P43235 3/20 0.32
THRA P10827 2/20 0.32
THRB P10828 2/20 0.32
CTSS P25774 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.31
FFAR1 O14842 1/20 0.30
TDP1 Q9NUW8 2/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 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
SCHEMBL19011981 0.78 MAPK1 (0.48) MAPK1
SCHEMBL276400 0.78
SCHEMBL10417537 0.75 MAPK1 (0.48) MAPK1PGDCACNA2D1CACNB3CACNA1C
SCHEMBL26811369 0.75 MAPK1 (0.48) MAPK1PGDCACNA2D1CACNB3CACNA1C
SCHEMBL9395777 0.75 SLC22A6 (0.50) MAPK1PGDGRNSORT1SLC22A6
SCHEMBL4837493 0.75 SLC22A6 (0.50) MAPK1PGDGRNSORT1SLC22A6
SCHEMBL4837485 0.75 SLC22A6 (0.50) MAPK1PGDGRNSORT1SLC22A6
SCHEMBL11761433 0.75 CACNA2D1 (0.46) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL804682 0.75 CACNA2D1 (0.46) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL27936231 0.75 CACNA2D1 (0.46) CACNA2D1CACNB3CACNA1CPGRADRA1A

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-8329927-B2 Water-soluble and water-insoluble, ring opening metathesis polymerization products, monomers and related methods UNIVERSITY OF MASSACHUSETTS (US) 2012-12-11 US disclosed