SCHEMBL30607306

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.63

▸	MAPK8	P45983	1/20	0.60

▸	MAPK9	P45984	1/20	0.60

▸	MAPK10	P53779	1/20	0.60

▸	NPY2R	P49146	8/20	0.54

▸	NPY4R	P50391	8/20	0.54

▸	NPY5R	Q15761	8/20	0.54

▸	NPY1R	P25929	6/20	0.54

▸	CRHR1	P34998	1/20	0.54

▸	CRHR2	Q13324	1/20	0.54

▸	CALCRL	Q16602	1/20	0.53

▸	KEAP1	Q14145	1/20	0.52

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
SCHEMBL31183004	0.89	CALCR (0.67)	CALCRMAPK8MAPK9MAPK10NPY2R
SCHEMBL30658245	0.89	CALCR (0.71)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30443276	0.88	NTSR1 (0.53)	CALCRMAPK8MAPK9MAPK10NPY2R
SCHEMBL30437023	0.88	CALCR (0.65)	CALCRMAPK8MAPK9MAPK10NPY2R
SCHEMBL30712951	0.88	CALCR (0.65)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30658389	0.87	CALCR (0.68)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30432175	0.87	CALCR (0.62)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL2450964	0.87	CALCR (0.68)	CALCRMAPK8MAPK9MAPK10NPY2R
SCHEMBL30057940	0.87	CALCR (0.58)	CALCRMAPK8MAPK9MAPK10CRHR1
SCHEMBL30576927	0.87	CALCR (0.65)	CALCRMAPK8MAPK9MAPK10NPY2R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-12383505-B2	Nanoparticle for the remodeling of cancer-associated fibroblasts	UNIVERSITY OF SOUTH CAROLINA (US)	2025-08-12	—	—	US	disclosed
US-20230310331-A1	NANOPARTICLE FOR THE REMODELING OF CANCER-ASSOCIATED FIBROBLASTS	UNIVERSITY OF SOUTH CAROLINA (US)	2023-10-05	—	—	US	disclosed