SCHEMBL30607281

CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	PTH1R	Q03431	7/20	0.65

▸	KEAP1	Q14145	1/20	0.64

▸	GLP1R	P43220	8/20	0.63

▸	ECE1	P42892	1/20	0.63

▸	MUS81	Q96NY9	1/20	0.63

▸	RXFP1	Q9HBX9	1/20	0.62

▸	CXCR4	P61073	2/20	0.61

▸	IL23R	Q5VWK5	1/20	0.61

▸	CCKBR	P32239	1/20	0.60

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
SCHEMBL30658325	0.94	RXFP1 (0.69)	PTH1RGLP1RECE1MUS81RXFP1
SCHEMBL30601915	0.93	RXFP1 (0.69)	PTH1RGLP1RECE1MUS81RXFP1
SCHEMBL9795487	0.93	PTH1R (0.69)	PTH1RKEAP1GLP1RECE1MUS81
SCHEMBL31664370	0.92	RXFP1 (0.68)	PTH1RKEAP1GLP1RECE1MUS81
SCHEMBL30576887	0.91	GLP1R (0.68)	PTH1RKEAP1GLP1RECE1MUS81
SCHEMBL31182558	0.91	RXFP1 (0.72)	PTH1RKEAP1GLP1RECE1MUS81
SCHEMBL30862311	0.90	GLP1R (0.65)	PTH1RGLP1RECE1MUS81RXFP1
SCHEMBL31683265	0.90	GLP1R (0.67)	PTH1RKEAP1GLP1RECE1MUS81
SCHEMBL31000941	0.90	GLP1R (0.71)	GLP1RECE1MUS81IL23RCCKBR
SCHEMBL31182536	0.90	PTH1R (0.62)	PTH1RKEAP1GLP1RECE1MUS81

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