SCHEMBL7052314

SCHEMBL7052314

CCC(COC(=O)O)(COC(=O)OOC(C)(C)C)COC(=O)OOC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
THRB P10828 1/20 0.33
MAPK1 P28482 1/20 0.30
HIF1A Q16665 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
SCHEMBL6863766 0.93 ALDH1A1 (0.36) ALDH1A1TSHRHSD17B10TDP1THRB
SCHEMBL7050962 0.91 ALDH1A1 (0.35) ALDH1A1TSHRHSD17B10TDP1THRB
SCHEMBL8382328 0.84
SCHEMBL4653740 0.83 TSHR (0.35) ALDH1A1TSHRHSD17B10TDP1MAPK1
SCHEMBL1939337 0.81 THRB (0.42) ALDH1A1HSD17B10TDP1THRBMAPK1
SCHEMBL6861397 0.80 THRB (0.35) ALDH1A1TSHRTDP1THRB
SCHEMBL6863549 0.80 THRB (0.31) ALDH1A1TSHRHSD17B10TDP1THRB
SCHEMBL6861367 0.79 HSD17B10 (0.36) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL7056929 0.79 HSD17B10 (0.39) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL7058407 0.79 THRB (0.34) ALDH1A1THRB

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
EP-0908450-B1 Novel polyfunctional peroxides, vinyl monomer polymerization initiators comprising the same and process for polymerizing vinyl monomers employing the same NOF CORP (JP) 2003-05-07 EP claimed