SCHEMBL12371942

SCHEMBL12371942

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.36
CTSK P43235 1/20 0.35
CYP19A1 P11511 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
RNPEP Q9H4A4 1/20 0.31
SLC7A5 Q01650 1/20 0.31
MMP8 P22894 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
SCHEMBL12371936 0.83 PRKCA (0.52) PRKCACTSKCACNA2D1CACNB3CACNA1C
SCHEMBL13654316 0.79 PRKCA (0.36) PRKCACTSKCACNA2D1CACNB3CACNA1C
SCHEMBL20149745 0.78 PRKCA (0.52) PRKCA
SCHEMBL106870 0.78 CTSK (0.37) PRKCACTSKCACNA2D1CACNB3CACNA1C
SCHEMBL9901276 0.75 TSHR (0.32)
SCHEMBL17191649 0.75 TSHR (0.32)
SCHEMBL454299 0.75 TSHR (0.43) ADRA1A
SCHEMBL15685105 0.75 TSHR (0.32)
SCHEMBL110678 0.75 CTSK (0.36) PRKCACTSKMMP8
SCHEMBL12371945 0.74 SCN5A (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271683-B1 POLYMER-DENDRIMER HYBRIDS UNIV LIVERPOOL (GB) 2015-09-16 EP disclosed
US-8722830-B2 Polymer-dendrimer hybrids THE UNIVERSITY OF LIVERPOOL (GB) 2014-05-13 US disclosed
US-8722830-B2 Polymer-dendrimer hybrids THE UNIVERSITY OF LIVERPOOL (GB) 2014-05-13 US disclosed
US-20130231450-A1 POLYMER-DENDRIMER HYBRIDS THE UNIVERSITY OF LIVERPOOL (GB) 2013-09-05 US disclosed
US-20130231450-A1 POLYMER-DENDRIMER HYBRIDS THE UNIVERSITY OF LIVERPOOL (GB) 2013-09-05 US disclosed
US-20110201773-A1 POLYMER-DENDRIMER HYBRIDS ULIVE ENTERPRISES LTD. (GB) 2011-08-18 US disclosed
US-20110201773-A1 POLYMER-DENDRIMER HYBRIDS ULIVE ENTERPRISES LTD. (GB) 2011-08-18 US disclosed