SCHEMBL6161494

SCHEMBL6161494

CCCCC(CC(C)(OOC(C)(C)C)OOC(C)(C)C)C(=O)O.CCOC(=O)CC(C)(OOC(C)(C)CC)OOC(C)(C)CC

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.37
MAPK1 P28482 1/20 0.37
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
SLC1A3 P43003 1/20 0.33
CA1 P00915 1/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
CTSK P43235 1/20 0.31
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30
GRIK1 P39086 1/20 0.30
GRIK2 Q13002 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
SCHEMBL1883197 0.85 CA2 (0.50) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL1469705 0.82 GAA (0.38) HSD17B10TSHR
SCHEMBL22530 0.82 CA2 (0.53) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL8429202 0.81 CA2 (0.49) CA2MAPK1SLC1A2SLC1A1SLC1A3
Dodecane SCHEMBL12471573 0.79 NAAA (0.41) TSHRMEN1KMT2A
Cyclohexane SCHEMBL1991228 0.78 CA2 (0.49) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL24168 0.78 GAA (0.41) CA2CA1HSD17B10TSHR
Dodecane SCHEMBL12471509 0.77 NAAA (0.43) TSHRMEN1KMT2A
SCHEMBL9717600 0.75 GAA (0.39) CA2CA1HSD17B10TSHR
SCHEMBL23007 0.75 GAA (0.44) CA2CA1HSD17B10TSHR

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
EP-1504041-A1 PROCESS FOR REDUCING RESIDUAL FREE RADICAL POLYMERIZABLE MONOMER CONTENT OF POLYMERS EASTMAN CHEMICAL COMPANY (US) 2005-02-09 EP disclosed
WO-2003093328-A1 PROCESS FOR REDUCING RESIDUAL FREE RADICAL POLYMERIZABLE MONOMER CONTENT OF POLYMERS EASTMAN CHEMICAL COMPANY (US) 2003-11-13 WO disclosed