SCHEMBL5717896

Cc1cc(COc2c(Br)cc(CC(=O)O)cc2Br)c(F)c(NC2CCC2)c1.O=C(O)CCc1cc(Br)c(OCc2cc(Cl)cc(NC3CCC3)c2F)c(Br)c1.O=C(O)CCc1cc(Cl)c(OCc2cc(Cl)cc(NC3CCC3)c2F)c(Cl)c1.O=C(O)CNC(=O)c1cc(Br)c(OCc2cc(Cl)cc(NC3CCC3)c2F)c(Br)c1

nearest known ligand 0.37

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	THRA	P10827	19/20	0.37

▸	THRB	P10828	19/20	0.37

▸	MEN1	O00255	1/20	0.33

▸	KMT2A	Q03164	1/20	0.33

▸	ESR1	P03372	1/20	0.31

▸	NR3C1	P04150	1/20	0.31

▸	PGR	P06401	1/20	0.31

▸	NR3C2	P08235	1/20	0.31

▸	AR	P10275	1/20	0.31

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
SCHEMBL5717892	0.91	THRA (0.38)	THRATHRBMEN1KMT2AESR1
SCHEMBL5718222	0.90	THRB (0.40)	THRATHRBESR1NR3C1PGR
SCHEMBL5722536	0.89	THRB (0.39)	THRATHRBESR1NR3C1PGR
SCHEMBL5717918	0.88	THRB (0.37)	THRATHRBESR1NR3C1PGR
SCHEMBL5718149	0.88	PDE4A (0.34)	THRATHRBMEN1KMT2A
SCHEMBL5717932	0.87	THRB (0.38)	THRATHRBESR1NR3C1PGR
SCHEMBL5722648	0.87	THRB (0.42)	THRATHRBESR1NR3C1PGR
SCHEMBL5717783	0.87	PTGDR (0.34)	THRATHRBMEN1KMT2A
SCHEMBL5717857	0.86	THRA (0.39)	THRATHRBESR1NR3C1PGR
SCHEMBL5722479	0.86	THRB (0.37)	THRATHRBESR1NR3C1PGR

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-1732533-A1	THYROID RECEPTOR AGONISTS	KARO BIO AB (SE)	2006-12-20	—	—	EP	disclosed
WO-2005092317-A1	THYROID RECEPTOR AGONISTS	KARO BIO AB (SE)	2005-10-06	—	—	WO	disclosed