SCHEMBL4301229

COc1cc(C(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)OCc2ccccc2)cc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	PTGER4	P35408	5/20	0.44

▸	NPY5R	Q15761	3/20	0.40

▸	NPY1R	P25929	3/20	0.40

▸	NPY4R	P50391	3/20	0.40

▸	TGM2	P21980	2/20	0.40

▸	SIRT5	Q9NXA8	1/20	0.40

▸	SIRT1	Q96EB6	1/20	0.39

▸	REN	P00797	1/20	0.39

▸	CA1	P00915	1/20	0.39

▸	CA2	P00918	1/20	0.39

▸	CTSL	P07711	1/20	0.39

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
SCHEMBL6696292	0.96	PTGER4 (0.46)	PTGER4SIRT5SIRT1CTSL
SCHEMBL5053920	0.93	PSMB1 (0.47)	NPY5RNPY1RNPY4RTGM2SIRT5
SCHEMBL1074473	0.88	SIRT1 (0.47)	PTGER4SIRT5SIRT1
SCHEMBL1587596	0.83	SIRT1 (0.51)	SIRT5SIRT1
SCHEMBL9488093	0.83	SIRT1 (0.51)	SIRT5SIRT1
SCHEMBL8514657	0.83	NPY1R (0.36)	NPY5RNPY1RNPY4RTGM2
Hydrochloric Acid SCHEMBL28458664	0.82	NPY1R (0.36)	NPY5RNPY1RNPY4RTGM2
SCHEMBL3793063	0.81	CPB1 (0.54)	PTGER4NPY5RNPY1RNPY4RSIRT1
SCHEMBL3793060	0.81	CPB1 (0.54)	PTGER4NPY5RNPY1RNPY4RSIRT1
SCHEMBL2184305	0.81	FAP (0.46)	—

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-20090286283-A1	METHOD AND AFFINITY COLUMN FOR PURIFYING PROTEINS	SAMSUNG ELECTRONICS CO., LTD. (KR)	2009-11-19	—	—	US	disclosed