SCHEMBL29440518

CSCC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.56

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	2/20	0.56

▸	NPY1R	P25929	1/20	0.54

▸	NPY2R	P49146	1/20	0.54

▸	NPY4R	P50391	1/20	0.54

▸	NPY5R	Q15761	1/20	0.54

▸	CXCL8	P10145	7/20	0.54

▸	CXCR4	P61073	1/20	0.54

▸	GLP1R	P43220	6/20	0.52

▸	GIPR	P48546	6/20	0.52

▸	PTH1R	Q03431	1/20	0.51

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
SCHEMBL29611486	1.00	KEAP1 (0.56)	KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30576993	0.88	CXCR4 (0.61)	KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30690100	0.87	CXCL8 (0.56)	CXCL8CXCR4GLP1R
SCHEMBL30906406	0.86	NPY1R (0.56)	KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30262141	0.85	CXCL8 (0.56)	KEAP1CXCL8
SCHEMBL31247321	0.84	CAPN1 (0.58)	CXCL8CXCR4
SCHEMBL31182771	0.84	CXCR4 (0.62)	KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30906519	0.84	NPY1R (0.54)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL31073513	0.83	CXCR4 (0.59)	NPY1RNPY2RNPY4RNPY5RCXCL8
SCHEMBL30690108	0.83	CAPN1 (0.59)	CXCL8CXCR4

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
CN-114207112-A	Method for culturing hair papilla cells	花王株式会社	2022-03-18	—	—	CN	disclosed