SCHEMBL30607434

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)CC

nearest known ligand 0.66

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.66

▸	MAPK9	P45984	1/20	0.66

▸	MAPK10	P53779	1/20	0.66

▸	KEAP1	Q14145	1/20	0.63

▸	CALCR	P30988	4/20	0.57

▸	REN	P00797	7/20	0.57

▸	OPRM1	P35372	2/20	0.56

▸	OPRD1	P41143	2/20	0.56

▸	OPRK1	P41145	2/20	0.56

▸	KDM1A	O60341	1/20	0.56

▸	NPY1R	P25929	1/20	0.56

▸	NPY2R	P49146	1/20	0.56

▸	NPY4R	P50391	1/20	0.56

▸	NPY5R	Q15761	1/20	0.56

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
SCHEMBL30432934	0.89	MAPK8 (0.72)	MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL30658402	0.88	NPY2R (0.68)	MAPK8MAPK9MAPK10CALCRKDM1A
SCHEMBL30436859	0.87	CALCR (0.61)	MAPK8MAPK9MAPK10KEAP1CALCR
SCHEMBL30648476	0.87	NPY2R (0.64)	MAPK8MAPK9MAPK10CALCRNPY1R
SCHEMBL30804679	0.87	MAPK8 (0.62)	MAPK8MAPK9MAPK10RENKDM1A
SCHEMBL29382839	0.87	CALCR (0.65)	MAPK8MAPK9MAPK10KEAP1CALCR
SCHEMBL30358154	0.86	CALCR (0.64)	CALCROPRM1OPRD1OPRK1NPY1R
SCHEMBL30607467	0.86	CALCR (0.64)	MAPK8MAPK9MAPK10CALCRNPY1R
SCHEMBL31182439	0.86	CALCR (0.63)	CALCROPRM1OPRD1OPRK1NPY1R
SCHEMBL30429108	0.86	MAPK8 (0.58)	MAPK8MAPK9MAPK10KEAP1CALCR

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