SCHEMBL30262174

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

nearest known ligand 0.52

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	3/20	0.52

▸	IL23R	Q5VWK5	1/20	0.47

▸	TFPI	P10646	1/20	0.45

▸	RAMP3	O60896	6/20	0.45

▸	CALCR	P30988	6/20	0.45

▸	GLP1R	P43220	2/20	0.44

▸	ECE1	P42892	1/20	0.44

▸	MUS81	Q96NY9	1/20	0.44

▸	SCTR	P47872	1/20	0.44

▸	RXFP1	Q9HBX9	1/20	0.44

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
SCHEMBL30596157	0.92	KEAP1 (0.51)	KEAP1IL23RTFPIRAMP3CALCR
SCHEMBL30084577	0.90	TFPI (0.48)	KEAP1TFPIGLP1RECE1MUS81
SCHEMBL31303211	0.89	NPY4R (0.48)	KEAP1
SCHEMBL31319515	0.88	RAMP3 (0.48)	KEAP1TFPIRAMP3CALCR
SCHEMBL30596211	0.88	NPY4R (0.46)	KEAP1TFPIRAMP3CALCRRXFP1
SCHEMBL30905693	0.87	TFPI (0.54)	KEAP1TFPIGLP1RECE1MUS81
SCHEMBL30432641	0.87	TFPI (0.51)	KEAP1TFPIGLP1RECE1MUS81
SCHEMBL29601319	0.87	RXFP1 (0.50)	KEAP1TFPIGLP1RECE1MUS81
SCHEMBL29601022	0.87	RXFP1 (0.50)	KEAP1TFPIGLP1RECE1MUS81
SCHEMBL30905699	0.86	TFPI (0.53)	KEAP1TFPIGLP1RECE1MUS81

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-20230040544-A1	COMPOSITIONS AND METHODS FOR RESTORING AND MAINTAINING THE DYSTROPHIN-ASSOCIATED PROTEIN COMPLEX (DAPC)	SAREPTA THERAPEUTICS, INC.	2023-02-09	—	—	US	disclosed