SCHEMBL5718451

N#Cc1cc(COc2c(Br)cc(CC(=O)O)cc2Br)cc(NCC2CC2)c1.N#Cc1cc(COc2c(Cl)cc(C(=O)NCC(=O)O)cc2Cl)cc(NCC2CC2)c1.O=C(O)CCc1cc(Cl)c(OCc2cccc(NCC3CC3)c2F)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	THRA	P10827	12/20	0.37

▸	THRB	P10828	12/20	0.37

▸	ESR1	P03372	1/20	0.34

▸	NR3C1	P04150	1/20	0.34

▸	PGR	P06401	1/20	0.34

▸	NR3C2	P08235	1/20	0.34

▸	AR	P10275	1/20	0.34

▸	FFAR1	O14842	1/20	0.31

▸	FFAR4	Q5NUL3	1/20	0.31

▸	PDCD1	Q15116	1/20	0.31

▸	CD274	Q9NZQ7	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
SCHEMBL5717852	0.87	THRA (0.41)	THRATHRBESR1NR3C1PGR
SCHEMBL5717735	0.87	THRA (0.40)	THRATHRBESR1NR3C1PGR
SCHEMBL5718007	0.86	THRA (0.39)	THRATHRBESR1NR3C1PGR
SCHEMBL5722985	0.86	THRA (0.39)	THRATHRBESR1NR3C1PGR
SCHEMBL5722932	0.84	THRA (0.39)	THRATHRBESR1NR3C1PGR
SCHEMBL5723147	0.84	THRA (0.40)	THRATHRBESR1NR3C1PGR
SCHEMBL5717878	0.84	THRA (0.46)	THRATHRBESR1NR3C1PGR
SCHEMBL5717802	0.84	THRB (0.53)	THRATHRBESR1NR3C1PGR
SCHEMBL5718003	0.83	THRA (0.39)	THRATHRBESR1NR3C1PGR
SCHEMBL5717925	0.82	THRA (0.52)	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