SCHEMBL328535

SCHEMBL328535

B=S(C)(=O)Nc1cc(Cc2c(C)cc(OCP(=O)(O)O)cc2C)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 15/20 0.67
THRA P10827 14/20 0.67
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
ADRA1A P35348 2/20 0.40
PTPN1 P18031 1/20 0.38
ADRB3 P13945 2/20 0.36

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
SCHEMBL282702 0.92 THRA (0.69) THRBTHRAADRA2AADRA2BADRA2C
SCHEMBL13381700 0.82 THRA (0.56) THRBTHRAADRA2AADRA2BADRA2C
SCHEMBL22071770 0.82 THRA (0.55) THRBTHRAADRA2AADRA2BADRA2C
SCHEMBL3147737 0.81 THRB (0.74) THRBTHRAPTPN1
SCHEMBL10274395 0.81 THRB (1.00) THRBTHRAPTPN1
SCHEMBL3161475 0.79 THRB (0.67) THRBTHRA
SCHEMBL21565819 0.79 THRB (0.67) THRBTHRAPTPN1
SCHEMBL4962963 0.79 THRB (0.69) THRBTHRAPTPN1
SCHEMBL282585 0.78 THRB (0.65) THRBTHRAPTPN1
SCHEMBL282128 0.78 THRB (0.79) THRBTHRAPTPN1

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-2428516-A1 Novel phosphorus-containing thyromimetics Metabasis Therapeutics, Inc. (US) 2012-03-14 EP disclosed