SCHEMBL10694865

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O

nearest known ligand 0.45

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	TDP1	Q9NUW8	1/20	0.41

▸	CTSB	P07858	3/20	0.39

▸	CTSK	P43235	2/20	0.39

▸	REN	P00797	2/20	0.39

▸	PTGER4	P35408	1/20	0.39

▸	PSMB5	P28074	1/20	0.39

▸	FASN	P49327	1/20	0.39

▸	TYMS	P04818	1/20	0.38

▸	CPB1	P15086	1/20	0.38

▸	CPB2	Q96IY4	1/20	0.38

▸	F2	P00734	1/20	0.37

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
SCHEMBL9637913	1.00	TDP1 (0.41)	TDP1CTSBCTSKRENPTGER4
SCHEMBL9636927	0.97	TDP1 (0.42)	TDP1PSMB5FASNCPB1CPB2
SCHEMBL9638021	0.95	TDP1 (0.43)	TDP1PSMB5FASNCPB1CPB2
SCHEMBL9638053	0.93	REN (0.44)	CTSBCTSKRENTYMS
SCHEMBL9637000	0.91	TYMS (0.44)	CTSBCTSKRENTYMS
SCHEMBL9636996	0.91	TYMS (0.44)	CTSBCTSKRENTYMS
SCHEMBL9636912	0.88	TDP1 (0.43)	TDP1CTSBCTSKPSMB5FASN
SCHEMBL9637216	0.87	P2RY6 (0.44)	CTSBCTSKTYMS
SCHEMBL9637218	0.87	P2RY6 (0.44)	CTSBCTSKTYMS
SCHEMBL10332443	0.86	TYMS (0.40)	TYMSF2

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-0268678-A1	NOVEL 5-FLUOROURIDINE COMPOUNDS AND PROCESS FOR THEIR PREPARATION	FUJI KAGAKU KOGYO KABUSHIKI KAISHA (JP)	1988-06-01	—	—	EP	disclosed