SCHEMBL16854584

SCHEMBL16854584

COCCOCCOCC(C)COC

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.33
HSD17B10 Q99714 1/20 0.32
PIK3CD O00329 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
SCHEMBL19565352 0.97 CA2 (0.34) CA2HSD17B10PIK3CD
SCHEMBL777798 0.97 CA2 (0.34) CA2HSD17B10PIK3CD
SCHEMBL11987182 0.95 HSD17B10 (0.35) CA2HSD17B10PIK3CD
SCHEMBL768970 0.88 HSD17B10 (0.48) CA2HSD17B10
SCHEMBL18746409 0.86 HTT (0.34) CA2
SCHEMBL18387234 0.86 HTT (0.34) CA2
SCHEMBL769010 0.86 MEN1 (0.48) HSD17B10
SCHEMBL18357022 0.85 HSD17B10 (0.50) HSD17B10
SCHEMBL12743745 0.85 HSD17B10 (0.34) CA2HSD17B10
SCHEMBL12743737 0.85 HSD17B10 (0.34) CA2HSD17B10

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-2015092819-A2 DERIVATIVES OF 6-(2,3-DICHLOROPHENYL)-1,2,4-TRIAZIN-5- AMINE NEKTAR THERAPEUTICS (INDIA) PVT. LTD. (IN) 2015-06-25 WO disclosed