SCHEMBL3707841

SCHEMBL3707841

CC(C)c1cc(Oc2c(Br)cc(N(CC(=O)O)C(=O)NC3CCCCC3)cc2Br)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
THRA P10827 14/20 0.54
THRB P10828 14/20 0.54

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
SCHEMBL3704572 0.90 THRB (0.54) THRATHRB
SCHEMBL3704912 0.86 THRA (0.57) THRATHRB
SCHEMBL3707771 0.83 THRA (0.60) THRATHRB
SCHEMBL3701595 0.82 THRA (0.62) THRATHRB
SCHEMBL3708547 0.80 MAPT (0.42) THRATHRB
SCHEMBL3712024 0.80 THRA (0.55) THRATHRB
SCHEMBL3714119 0.79 RORC (0.49) THRATHRB
SCHEMBL3708160 0.79 THRA (0.61) THRATHRB
SCHEMBL3708156 0.78 THRA (0.60) THRATHRB
SCHEMBL3708452 0.78 THRA (0.57) THRATHRB

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