SCHEMBL9420804

SCHEMBL9420804

CCCCC(OC)OC(=O)C(S)CC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.44
CA1 P00915 4/20 0.44
TSHR P16473 2/20 0.37
CYP3A4 P08684 2/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CTSK P43235 1/20 0.36
MAPK1 P28482 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.35
PRKCA P17252 1/20 0.34
PRKCD Q05655 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SMPD1 P17405 2/20 0.33

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
SCHEMBL9420616 0.93 ZDHHC7 (0.44) CA2CA1ZDHHC7SMPD1
SCHEMBL9420597 0.89 CA1 (0.35) CA2CA1TDP1ZDHHC7PRKCA
SCHEMBL9420587 0.86 CA2 (0.44) CA2CA1TSHRCYP3A4ATM
SCHEMBL9420697 0.85 ZDHHC7 (0.45) CA2CA1ZDHHC7SMPD1
SCHEMBL9420692 0.81 ZDHHC7 (0.41) CA2CA1ZDHHC7SMPD1
SCHEMBL9420694 0.80 ZDHHC7 (0.44) CA2CA1ZDHHC7SMPD1
SCHEMBL9420830 0.80 ZDHHC7 (0.44) CA2CA1ZDHHC7SMPD1
SCHEMBL3087377 0.80 CA1 (0.34) CA2CA1TSHRCYP3A4ATM
SCHEMBL9420833 0.79 SMPD1 (0.37) CA2CA1ZDHHC7SMPD1
SCHEMBL9420723 0.79 SMPD1 (0.40) CA2CA1ZDHHC7SMPD1

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
US-5354800-A Emulsion polymerization of addition monomers with hydrophilic and hydrophobic chain transfer agent TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-10-11 US disclosed