SCHEMBL383446

COc1ccc(C(OC([C@H]2O[C@@H](n3ccc(N)nc3=O)C(F)(F)[C@@H]2O)C(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	PDE4D	Q08499	1/20	0.46

▸	PDE3A	Q14432	1/20	0.46

▸	SLC29A1	Q99808	1/20	0.46

▸	POLA1	P09884	2/20	0.41

▸	TYMP	P19971	1/20	0.34

▸	ST6GAL1	P15907	5/20	0.34

▸	LMNA	P02545	1/20	0.32

▸	THRB	P10828	1/20	0.32

▸	MTOR	P42345	1/20	0.32

▸	MDM2	Q00987	1/20	0.32

▸	NCOA1	Q15788	1/20	0.32

▸	NCOA3	Q9Y6Q9	1/20	0.32

▸	NT5E	P21589	1/20	0.32

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
SCHEMBL3793139	0.93	PDE4D (0.40)	PDE4DPDE3ASLC29A1POLA1TYMP
SCHEMBL384131	0.84	ST6GAL1 (0.39)	TYMPST6GAL1LMNATHRBMTOR
SCHEMBL382322	0.80	PDE4D (0.46)	PDE4DPDE3ASLC29A1POLA1TYMP
SCHEMBL383202	0.77	PDE4D (0.45)	PDE4DPDE3ASLC29A1POLA1TYMP
SCHEMBL23474279	0.76	PDE3A (0.65)	PDE4DPDE3ASLC29A1POLA1LMNA
SCHEMBL15253010	0.76	PDE3A (0.65)	PDE4DPDE3ASLC29A1POLA1LMNA
SCHEMBL23474183	0.76	PDE3A (0.65)	PDE4DPDE3ASLC29A1POLA1LMNA
SCHEMBL25619493	0.76	PDE3A (0.65)	PDE4DPDE3ASLC29A1POLA1LMNA
SCHEMBL6530225	0.76	PDE4D (0.33)	PDE4DPDE3ASLC29A1POLA1TYMP
SCHEMBL1317526	0.75	NT5E (0.45)	TYMPST6GAL1LMNATHRBMTOR

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
EP-2408306-A1	SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS	Alios Biopharma, Inc. (US)	2012-01-25	—	—	EP	disclosed