SCHEMBL30607472

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1)[C@@H](C)O)C(C)C)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.57

Predicted protein targets (top 17)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	3/20	0.57

▸	MAPK8	P45983	1/20	0.56

▸	MAPK9	P45984	1/20	0.56

▸	MAPK10	P53779	1/20	0.56

▸	KEAP1	Q14145	1/20	0.55

▸	F2	P00734	4/20	0.55

▸	CALCR	P30988	4/20	0.54

▸	MAOB	P27338	1/20	0.53

▸	KDM5A	P29375	1/20	0.53

▸	KDM1B	Q8NB78	1/20	0.53

▸	REN	P00797	4/20	0.51

▸	EP300	Q09472	1/20	0.51

▸	HIF1A	Q16665	1/20	0.51

▸	NPY1R	P25929	1/20	0.50

▸	NPY2R	P49146	1/20	0.50

▸	NPY4R	P50391	1/20	0.50

▸	NPY5R	Q15761	1/20	0.50

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
SCHEMBL31462124	0.89	MAPK8 (0.59)	KDM1AMAPK8MAPK9MAPK10KEAP1
SCHEMBL31461924	0.89	MAPK8 (0.58)	KDM1AMAPK8MAPK9MAPK10KEAP1
SCHEMBL31462001	0.88	MAPK8 (0.61)	KDM1AMAPK8MAPK9MAPK10KEAP1
SCHEMBL31462119	0.88	MAPK8 (0.60)	KDM1AMAPK8MAPK9MAPK10KEAP1
SCHEMBL31461888	0.88	REN (0.56)	MAPK8MAPK9MAPK10REN
SCHEMBL31461863	0.87	REN (0.56)	MAPK8MAPK9MAPK10REN
SCHEMBL31462076	0.87	MAPK8 (0.63)	KDM1AMAPK8MAPK9MAPK10KEAP1
SCHEMBL31462022	0.86	MAPK8 (0.55)	KDM1AMAPK8MAPK9MAPK10KEAP1
SCHEMBL29416106	0.86	MAPK8 (0.62)	KDM1AMAPK8MAPK9MAPK10KEAP1
SCHEMBL31462041	0.85	MAPK8 (0.55)	KDM1AMAPK8MAPK9MAPK10KEAP1

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