SCHEMBL30607414

CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O

nearest known ligand 0.64

Predicted protein targets (top 19)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.64

▸	MAPK9	P45984	1/20	0.64

▸	MAPK10	P53779	1/20	0.64

▸	KEAP1	Q14145	1/20	0.64

▸	KDM1A	O60341	3/20	0.60

▸	NPY2R	P49146	7/20	0.59

▸	NPY4R	P50391	7/20	0.59

▸	NPY5R	Q15761	7/20	0.59

▸	NPY1R	P25929	5/20	0.59

▸	EP300	Q09472	1/20	0.59

▸	HIF1A	Q16665	1/20	0.59

▸	MAOB	P27338	1/20	0.58

▸	KDM5A	P29375	1/20	0.58

▸	KDM1B	Q8NB78	1/20	0.58

▸	RAMP3	O60896	1/20	0.57

▸	CALCR	P30988	1/20	0.57

▸	NMUR2	Q9GZQ4	2/20	0.56

▸	NMUR1	Q9HB89	2/20	0.56

▸	F2	P00734	3/20	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
SCHEMBL30080584	0.89	MAPK8 (0.62)	MAPK8MAPK9MAPK10KDM1ANPY2R
SCHEMBL29679520	0.89	MAPK8 (0.65)	MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL31182865	0.88	MAPK8 (0.73)	MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL30712941	0.87	MAPK8 (0.73)	MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL30429012	0.87	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30437130	0.87	MAPK8 (0.65)	MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL29679821	0.86	MAPK8 (0.63)	MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL31401835	0.86	KEAP1 (0.65)	MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL30485541	0.86	MAPK8 (0.68)	MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL29416138	0.86	NPY2R (0.65)	KEAP1NPY2RNPY4RNPY5RNPY1R

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