SCHEMBL3702844

SCHEMBL3702844

O=C(O)CN(C(=O)N1CCOCC1)c1cc(Cl)c(Oc2ccc(O)c(-c3ccccc3)c2)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRB P10828 19/20 0.58
THRA P10827 17/20 0.58
EPHX1 P07099 1/20 0.40

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
SCHEMBL3805324 0.89 THRA (0.46) THRBTHRAEPHX1
SCHEMBL3812541 0.89 THRB (0.44) THRBTHRAEPHX1
SCHEMBL3806997 0.86 THRB (0.43) THRBTHRA
SCHEMBL3707489 0.84 THRA (0.59) THRBTHRA
SCHEMBL3707830 0.83 THRB (0.50) THRBTHRA
SCHEMBL3778662 0.82 THRB (0.63) THRBTHRAEPHX1
SCHEMBL3706172 0.80 THRB (0.58) THRBTHRAEPHX1
SCHEMBL3226122 0.79 THRB (0.60) THRBTHRAEPHX1
SCHEMBL3710195 0.79 THRB (0.60) THRBTHRAEPHX1
SCHEMBL3219162 0.79 THRB (0.60) THRBTHRAEPHX1

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 claimed