SCHEMBL18773423

CC[C@H](NC(=O)C(NC)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC)C(=O)NC(C(N)=O)[C@@H](C)O

nearest known ligand 0.41

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	3/20	0.41

▸	TFPI	P10646	1/20	0.40

▸	RXFP1	Q9HBX9	1/20	0.40

▸	SIRT2	Q8IXJ6	1/20	0.40

▸	SIRT5	Q9NXA8	1/20	0.40

▸	NPY4R	P50391	2/20	0.39

▸	NPY1R	P25929	1/20	0.39

▸	NPY2R	P49146	1/20	0.39

▸	NPY5R	Q15761	1/20	0.39

▸	IL23R	Q5VWK5	4/20	0.39

▸	SYK	P43405	1/20	0.38

▸	OPRL1	P41146	1/20	0.38

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
SCHEMBL18773431	0.97	TFPI (0.42)	KEAP1TFPIRXFP1IL23ROPRL1
SCHEMBL19084913	0.89	OPRL1 (0.40)	KEAP1TFPIRXFP1IL23ROPRL1
SCHEMBL16508540	0.82	SIRT5 (0.46)	TFPISIRT2SIRT5NPY4RNPY1R
SCHEMBL29815704	0.81	KEAP1 (0.43)	KEAP1
SCHEMBL30974030	0.80	IL23R (0.45)	KEAP1TFPIIL23ROPRL1
SCHEMBL29987871	0.79	KEAP1 (0.45)	KEAP1TFPINPY4RNPY1RNPY2R
SCHEMBL8429395	0.79	OPRL1 (0.45)	KEAP1TFPINPY4RNPY1RNPY5R
SCHEMBL31319515	0.79	RAMP3 (0.48)	KEAP1TFPINPY4RNPY1RNPY2R
SCHEMBL29940317	0.79	KEAP1 (0.46)	KEAP1TFPINPY4RNPY1RNPY2R
SCHEMBL12070950	0.79	SIRT5 (0.53)	KEAP1TFPIRXFP1SIRT5NPY4R

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-9630991-B2	βsheet tapes ribbons in tissue engineering	UNIVERSITY OF LEEDS (GB)	2017-04-25	—	—	US	disclosed