SCHEMBL6699199

SCHEMBL6699199

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.40
MAPK1 P28482 1/20 0.40
CA1 P00915 4/20 0.37
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL453708 0.91 CA2 (0.38) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL3281927 0.88 CA2 (0.42) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL588000 0.85 CA2 (0.35) CA2MAPK1CA1
SCHEMBL29054898 0.84 CA2 (0.42) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL9581079 0.84 CA2 (0.37) CA2MAPK1CA1
SCHEMBL1404251 0.79 CA2 (0.40) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL2696905 0.79 MAPK1 (0.36) CA2MAPK1CYP3A4TSHR
SCHEMBL588001 0.76 CA2 (0.37) CA2MAPK1CA1CYP3A4TSHR
SCHEMBL5185206 0.76 CA2 (0.41) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL14690765 0.75 CA2 (0.39) CA2MAPK1CA1SLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0423639-B1 Peroxide masterbatches using polycaprolactone as the carrier ATOCHEM NORTH AMERICA (US) 1995-09-20 EP claimed
US-20040063800-A1 Foamable compositions HENKEL LOCTITE CORPORATION 2004-04-01 US disclosed
EP-0423639-B1 Peroxide masterbatches using polycaprolactone as the carrier ATOCHEM NORTH AMERICA (US) 1995-09-20 EP disclosed