SCHEMBL3704624

SCHEMBL3704624

CCN(CC)C(=O)c1cc(Oc2c(Br)cc(N(CC(=O)O)C(=O)c3ccccc3)cc2Br)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRB P10828 17/20 0.48
THRA P10827 16/20 0.45
STAT3 P40763 2/20 0.41

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
SCHEMBL3703589 0.89 THRB (0.44) THRBTHRASTAT3
SCHEMBL3708122 0.86 THRB (0.45) THRBTHRASTAT3
SCHEMBL3705055 0.83 STAT3 (0.48) THRBTHRASTAT3
SCHEMBL3710141 0.83 THRB (0.51) THRBTHRASTAT3
SCHEMBL3712191 0.83 THRA (0.51) THRBTHRA
SCHEMBL3708160 0.82 THRA (0.61) THRBTHRA
SCHEMBL3704685 0.82 ESRRA (0.44) THRBTHRA
SCHEMBL3706492 0.82 THRB (0.40) THRBTHRA
SCHEMBL3710521 0.82 THRB (0.46) THRBTHRASTAT3
SCHEMBL3704309 0.82 THRB (0.46) THRBTHRASTAT3

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