SCHEMBL30511756

CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)I

nearest known ligand 0.56

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CTSL	P07711	3/20	0.56

▸	CTSS	P25774	3/20	0.56

▸	CTSK	P43235	3/20	0.56

▸	CTSH	P09668	1/20	0.56

▸	CALCR	P30988	3/20	0.54

▸	KEAP1	Q14145	1/20	0.54

▸	APLNR	P35414	2/20	0.52

▸	CRHR1	P34998	1/20	0.52

▸	CRHR2	Q13324	1/20	0.52

▸	CXCR4	P61073	1/20	0.51

▸	GLP1R	P43220	6/20	0.50

▸	GCGR	P47871	5/20	0.50

▸	GIPR	P48546	5/20	0.50

▸	F2	P00734	1/20	0.49

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
SCHEMBL30511758	0.94	CALCR (0.58)	CTSLCTSSCTSKCTSHCALCR
SCHEMBL30567004	0.93	CALCR (0.61)	CTSLCTSSCTSKCTSHCALCR
SCHEMBL30262103	0.89	F2 (0.60)	CALCRF2
SCHEMBL10492942	0.87	CALCR (0.64)	CALCRKEAP1CRHR1CRHR2GLP1R
SCHEMBL29374929	0.86	APLNR (0.61)	CTSLCTSSCTSKCTSHCALCR
SCHEMBL29453930	0.86	APLNR (0.60)	CTSLCTSSCTSKCTSHCALCR
SCHEMBL31182700	0.86	CALCR (0.68)	CALCRKEAP1APLNRCRHR1CRHR2
SCHEMBL30512749	0.85	NPY2R (0.55)	CALCRAPLNRCXCR4
SCHEMBL29933838	0.85	APLNR (0.60)	CTSLCTSSCTSKCTSHCALCR
SCHEMBL31182551	0.85	CALCR (0.68)	CALCRAPLNRCRHR1CRHR2GLP1R

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 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-116478270-A	Notch1 fragment peptides and their anti-leukemia effect	浙江理工大学	2023-07-25	—	—	CN	claimed