SCHEMBL5722648

CCC(=O)Nc1cc(C)cc(COc2c(Br)cc(CC(=O)O)cc2Br)c1F.CCC(=O)Nc1cc(Cl)cc(COc2c(Br)cc(C(=O)NCC(=O)O)cc2Br)c1F.CCC(=O)Nc1cc(Cl)cc(COc2c(Br)cc(CCC(=O)O)cc2Br)c1F.CCC(=O)Nc1cc(Cl)cc(COc2c(Cl)cc(CCC(=O)O)cc2Cl)c1F

nearest known ligand 0.42

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	THRB	P10828	20/20	0.42

▸	THRA	P10827	19/20	0.42

▸	ESR1	P03372	1/20	0.33

▸	NR3C1	P04150	1/20	0.33

▸	PGR	P06401	1/20	0.33

▸	NR3C2	P08235	1/20	0.33

▸	AR	P10275	1/20	0.33

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.

Compound	similarity	top predicted	shared targets
SCHEMBL5722536	0.93	THRB (0.39)	THRBTHRAESR1NR3C1PGR
SCHEMBL5722505	0.93	THRB (0.42)	THRBTHRA
SCHEMBL5718222	0.92	THRB (0.40)	THRBTHRAESR1NR3C1PGR
SCHEMBL5717932	0.90	THRB (0.38)	THRBTHRAESR1NR3C1PGR
SCHEMBL5722479	0.89	THRB (0.37)	THRBTHRAESR1NR3C1PGR
SCHEMBL5722833	0.88	THRA (0.45)	THRBTHRA
SCHEMBL5722574	0.87	THRA (0.35)	THRBTHRA
SCHEMBL5717896	0.87	THRA (0.37)	THRBTHRAESR1NR3C1PGR
SCHEMBL5722481	0.87	THRA (0.44)	THRBTHRA
SCHEMBL5717918	0.86	THRB (0.37)	THRBTHRAESR1NR3C1PGR

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1732532-A1	NOVEL PHARMACEUTICAL COMPOSITIONS COMPRISING AGONISTS OF THE THYROID RECEPTOR	KARO BIO AB (SE)	2006-12-20	—	—	EP	disclosed
WO-2005092316-A1	NOVEL PHARMACEUTICAL COMPOSITIONS COMPRISING AGONISTS OF THE THYROID RECEPTOR	KARO BIO AB (SE)	2005-10-06	—	—	WO	disclosed