SCHEMBL4074704

COc1ccc(C(OC[C@]23CO[C@H]([C@H](n4ccc(N)nc4=O)O2)[C@H]3O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	TYMP	P19971	1/20	0.33

▸	THRB	P10828	2/20	0.31

▸	SLC6A1	P30531	2/20	0.31

▸	SLC6A11	P48066	1/20	0.31

▸	LMNA	P02545	1/20	0.30

▸	MTOR	P42345	1/20	0.30

▸	MDM2	Q00987	1/20	0.30

▸	NCOA1	Q15788	1/20	0.30

▸	NCOA3	Q9Y6Q9	1/20	0.30

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
SCHEMBL4074993	0.87	DUT (0.34)	TYMPTHRBSLC6A1SLC6A11
SCHEMBL13722573	0.80	LMNA (0.38)	THRBLMNAMTORMDM2NCOA1
SCHEMBL12191308	0.79	LMNA (0.36)	THRBLMNAMTORMDM2NCOA1
SCHEMBL23263916	0.78	SLC6A1 (0.30)	SLC6A1SLC6A11
SCHEMBL22585589	0.78	SLC6A1 (0.30)	SLC6A1SLC6A11
SCHEMBL2816613	0.77	TYMP (0.41)	TYMPTHRBSLC6A1SLC6A11LMNA
SCHEMBL2816616	0.77	TYMP (0.41)	TYMPTHRBSLC6A1SLC6A11LMNA
SCHEMBL3640871	0.77	TYMP (0.36)	TYMPTHRBSLC6A1SLC6A11LMNA
SCHEMBL21750447	0.76	TYMP (0.39)	TYMP
SCHEMBL25819465	0.75	LMNA (0.38)	THRBLMNAMTORMDM2NCOA1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-7569686-B1	Compounds and methods for synthesis of bicyclic nucleic acid analogs	ISIS PHARMACEUTICALS, INC. (US)	2009-08-04	—	—	US	disclosed