SCHEMBL3785584

SCHEMBL3785584

CC(C)(NC(=O)NCC(=O)O)c1cc(Cl)c(Oc2ccc(O)c(-c3ccccc3)c2)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRB P10828 17/20 0.59
THRA P10827 16/20 0.59
EPHX1 P07099 3/20 0.45
EPHX2 P34913 3/20 0.45

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
SCHEMBL2786907 0.81 THRB (0.67) THRBTHRAEPHX1EPHX2
SCHEMBL2790015 0.74 THRB (1.00) THRBTHRA
SCHEMBL2787214 0.73 THRA (0.71) THRBTHRAEPHX1EPHX2
SCHEMBL2787292 0.73 THRB (0.71) THRBTHRAEPHX1EPHX2
SCHEMBL4432776 0.73 THRB (0.95) THRBTHRA
SCHEMBL2787486 0.72 THRB (0.64) THRBTHRA
SCHEMBL17930292 0.72 EPHX1 (0.79) THRBTHRAEPHX1EPHX2
SCHEMBL12312868 0.72 THRB (0.73) THRBTHRAEPHX1EPHX2
SCHEMBL12312880 0.72 THRB (0.69) THRBTHRAEPHX1EPHX2
SCHEMBL2786865 0.72 THRB (0.69) THRBTHRAEPHX1EPHX2

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-2010086878-A2 THYROID RECEPTOR MODULATORS CADILA HEALTHCARE LIMITED (IN) 2010-08-05 WO disclosed