SCHEMBL6237035

COc1ccc(C(OC[C@H]2S[C@@H](n3ccc(=O)[nH]c3=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	TYMP	P19971	1/20	0.38

▸	DUT	P33316	7/20	0.38

▸	SLC6A11	P48066	3/20	0.36

▸	SLC6A1	P30531	2/20	0.36

▸	P2RY14	Q15391	1/20	0.36

▸	NT5E	P21589	1/20	0.33

▸	TDP1	Q9NUW8	1/20	0.33

▸	MEN1	O00255	1/20	0.32

▸	TP53	P04637	1/20	0.32

▸	CYP1A2	P05177	1/20	0.32

▸	CYP3A4	P08684	1/20	0.32

▸	KMT2A	Q03164	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
SCHEMBL1052839	1.00	TYMP (0.38)	TYMPDUTSLC6A11SLC6A1P2RY14
SCHEMBL1052781	0.89	TYMP (0.41)	TYMPDUTSLC6A11SLC6A1P2RY14
SCHEMBL1050827	0.89	TYMP (0.41)	TYMPDUTSLC6A11SLC6A1P2RY14
SCHEMBL1054738	0.87	TYMP (0.42)	TYMPDUTSLC6A11SLC6A1P2RY14
SCHEMBL12960266	0.85	TYMP (0.41)	TYMPDUTSLC6A11SLC6A1P2RY14
SCHEMBL6036079	0.85	TYMP (0.38)	TYMPDUTSLC6A11SLC6A1P2RY14
SCHEMBL1055737	0.83	TYMP (0.41)	TYMPDUTSLC6A11SLC6A1P2RY14
SCHEMBL30274721	0.81	TYMP (0.51)	TYMPP2RY14
SCHEMBL30274940	0.81	TYMP (0.51)	TYMPP2RY14
SCHEMBL26502739	0.81	TYMP (0.51)	TYMPP2RY14

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-1541581-A1	4 -THIONUCLEOTIDE	Geneticlab Co., Ltd. (JP)	2005-06-15	—	—	EP	disclosed