SCHEMBL4621178

SCHEMBL4621178

CCC(CC(O)CO)c1cc(S(C)(=O)=O)cc(-c2nc(=O)c3ccc(Cl)cc3s2)n1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.31

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
SCHEMBL4620411 0.90 PPARA (0.33) PPARA
SCHEMBL4620002 0.87 PPARA (0.36) PPARA
SCHEMBL4620903 0.84 PPARA (0.32) PPARA
SCHEMBL4620378 0.84 PPARA (0.33) PPARA
SCHEMBL4623108 0.83 HTT (0.34) PPARA
SCHEMBL4622103 0.77 LMNA (0.35) PPARA
SCHEMBL4082987 0.77 CYP3A4 (0.31)
SCHEMBL4619193 0.77 LMNA (0.34) PPARA
SCHEMBL4618747 0.77 LMNA (0.34) PPARA
SCHEMBL4094643 0.73 HDAC6 (0.42) PPARA

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-1897880-A1 1,3-BENZOTHIAZINONE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-03-12 EP disclosed