SCHEMBL3704685

SCHEMBL3704685

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

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 2/20 0.44
THRB P10828 13/20 0.43
THRA P10827 12/20 0.43
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL3708122 0.86 THRB (0.45) THRBTHRA
SCHEMBL3708160 0.84 THRA (0.61) THRBTHRA
SCHEMBL3704624 0.82 THRB (0.48) THRBTHRA
SCHEMBL3712191 0.82 THRA (0.51) THRBTHRA
SCHEMBL3708478 0.82 THRB (0.42) THRBTHRA
SCHEMBL3709651 0.82 THRB (0.52) THRBTHRA
SCHEMBL3706492 0.82 THRB (0.40) THRBTHRA
SCHEMBL3712021 0.80 THRB (0.42) THRBTHRA
SCHEMBL3706100 0.80 THRB (0.45) THRBTHRA
SCHEMBL3703818 0.79 THRB (0.47) 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 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