SCHEMBL3703022

SCHEMBL3703022

CC(C)c1cc(Oc2c(Br)cc(N(CC(=O)O)C(=O)Cc3ccccc3)cc2Br)ccc1O

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
THRA P10827 16/20 0.64
THRB P10828 16/20 0.64

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
SCHEMBL3704041 0.93 THRA (0.54) THRATHRB
SCHEMBL3707164 0.89 THRB (0.64) THRATHRB
SCHEMBL3708160 0.88 THRA (0.61) THRATHRB
SCHEMBL3708405 0.86 THRA (0.59) THRATHRB
SCHEMBL3705677 0.86 THRA (0.58) THRATHRB
SCHEMBL3711889 0.85 THRA (0.57) THRATHRB
SCHEMBL3706305 0.84 THRB (0.53) THRATHRB
SCHEMBL5618153 0.84 THRA (0.64) THRATHRB
SCHEMBL3705909 0.84 THRA (0.56) THRATHRB
SCHEMBL3701595 0.84 THRA (0.62) 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