SCHEMBL30607370

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.64

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CALCRL	Q16602	4/20	0.56

▸	EP300	Q09472	1/20	0.56

▸	HIF1A	Q16665	1/20	0.56

▸	CALCR	P30988	4/20	0.54

▸	CRHR1	P34998	1/20	0.52

▸	CRHR2	Q13324	1/20	0.52

▸	NPY2R	P49146	6/20	0.52

▸	NPY4R	P50391	6/20	0.52

▸	NPY5R	Q15761	6/20	0.52

▸	NPY1R	P25929	4/20	0.52

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
SCHEMBL30712946	0.87	CALCRL (0.58)	CALCRLEP300HIF1ACALCRNPY2R
SCHEMBL30607403	0.86	CALCR (0.67)	EP300HIF1ACALCRCRHR1CRHR2
SCHEMBL29679560	0.86	CALCRL (0.59)	CALCRLEP300HIF1ACALCRNPY2R
SCHEMBL30277935	0.86	CALCR (0.61)	CALCRLEP300HIF1ACALCRCRHR1
SCHEMBL30712880	0.86	CALCR (0.61)	EP300HIF1ACALCRCRHR1CRHR2
SCHEMBL11598563	0.86	CALCR (0.71)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30429242	0.86	CALCR (0.63)	EP300HIF1ACALCRCRHR1CRHR2
SCHEMBL29399811	0.85	CALCRL (0.64)	CALCRLCALCR
SCHEMBL30887979	0.85	CALCR (0.65)	EP300HIF1ACALCRCRHR1CRHR2
SCHEMBL30607280	0.85	CALCR (0.59)	CALCRLEP300HIF1ACALCRCRHR1

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