SCHEMBL30607294

CC(C)C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)O)C(C)C)[C@@H](C)O

nearest known ligand 0.72

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	7/20	0.72

▸	IL23R	Q5VWK5	4/20	0.70

▸	NPY1R	P25929	1/20	0.63

▸	NPY2R	P49146	1/20	0.63

▸	NPY4R	P50391	1/20	0.63

▸	NPY5R	Q15761	1/20	0.63

▸	KEAP1	Q14145	1/20	0.62

▸	C5AR1	P21730	1/20	0.60

▸	CALCA	P06881	1/20	0.59

▸	GLP1R	P43220	3/20	0.59

▸	GCGR	P47871	3/20	0.59

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
SCHEMBL30436762	0.91	IL23R (0.72)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL30658254	0.90	KEAP1 (0.72)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30658309	0.90	KEAP1 (0.68)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL29949399	0.90	NPY2R (0.73)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL30423449	0.90	NPY2R (0.69)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL31182564	0.89	NPY1R (0.70)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL30712789	0.89	IL23R (0.69)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL31182831	0.89	CXCR4 (0.68)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL31105456	0.89	NPY2R (0.71)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL30646309	0.89	CXCR4 (0.71)	CXCR4IL23RNPY1RNPY2RNPY4R

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