SCHEMBL3705055

SCHEMBL3705055

O=C(O)CN(C(=O)c1ccccc1)c1cc(Br)c(Oc2ccc(O)c(C(=O)c3ccc(Cl)cc3)c2)c(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.48
THRB P10828 12/20 0.47
THRA P10827 11/20 0.43
PTGES O14684 1/20 0.41
PTGIR P43119 2/20 0.39

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
SCHEMBL3710521 0.92 THRB (0.46) STAT3THRBTHRA
SCHEMBL3710141 0.91 THRB (0.51) STAT3THRBTHRAPTGES
SCHEMBL3705791 0.90 STAT3 (0.44) STAT3THRBTHRAPTGES
SCHEMBL3704309 0.86 THRB (0.46) STAT3THRBTHRA
SCHEMBL3226105 0.85 THRB (0.41) STAT3THRBTHRAPTGES
SCHEMBL3225769 0.85 THRB (0.40) STAT3THRBTHRAPTGES
SCHEMBL3704624 0.83 THRB (0.48) STAT3THRBTHRA
SCHEMBL3705929 0.83 THRB (0.43) STAT3THRBTHRA
SCHEMBL3709651 0.81 THRB (0.52) STAT3THRBTHRA
SCHEMBL3708122 0.81 THRB (0.45) STAT3THRBTHRA

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