SCHEMBL3703589

SCHEMBL3703589

CCN(CC)C(=O)c1cc(Oc2c(Cl)cc(N(CC(=O)O)C(=O)c3ccccc3)cc2Cl)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
THRB P10828 14/20 0.44
THRA P10827 12/20 0.44
STAT3 P40763 2/20 0.41
HSP90AA1 P07900 3/20 0.40
HSP90AB1 P08238 3/20 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
SCHEMBL3704624 0.89 THRB (0.48) THRBTHRASTAT3
SCHEMBL3219975 0.86 THRB (0.40) THRBTHRAHSP90AA1HSP90AB1
SCHEMBL3713193 0.83 THRA (0.51) THRBTHRA
SCHEMBL3708498 0.82 THRA (0.61) THRBTHRA
SCHEMBL3707632 0.82 THRA (0.40) THRBTHRA
SCHEMBL3778662 0.82 THRB (0.63) THRBTHRA
SCHEMBL3713941 0.81 THRB (0.50) THRBTHRASTAT3HSP90AA1
SCHEMBL3705942 0.80 THRB (0.45) THRBTHRASTAT3
SCHEMBL3711117 0.80 TSHR (0.43) THRB
SCHEMBL3807063 0.78 THRB (0.58) THRBTHRA

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