SCHEMBL30974445

C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CALCRL	Q16602	3/20	0.55

▸	CTSL	P07711	3/20	0.55

▸	CTSS	P25774	3/20	0.55

▸	CTSK	P43235	3/20	0.55

▸	CTSH	P09668	1/20	0.55

▸	EPHA2	P29317	2/20	0.54

▸	C5AR1	P21730	1/20	0.53

▸	KEAP1	Q14145	2/20	0.53

▸	APLNR	P35414	1/20	0.52

▸	MAPK8	P45983	1/20	0.52

▸	MAPK9	P45984	1/20	0.52

▸	MAPK10	P53779	1/20	0.52

▸	RAMP3	O60896	3/20	0.51

▸	CALCR	P30988	3/20	0.51

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
SCHEMBL30974054	0.97	CALCRL (0.56)	CALCRLCTSLCTSSCTSKCTSH
SCHEMBL30973967	0.94	CTSL (0.57)	CTSLCTSSCTSKCTSHEPHA2
SCHEMBL30974077	0.94	EPHA2 (0.57)	CALCRLCTSLCTSSCTSKCTSH
SCHEMBL29697039	0.93	EPHA2 (0.58)	CALCRLEPHA2C5AR1APLNRMAPK8
SCHEMBL29575211	0.90	EPHA2 (0.55)	CTSLCTSSCTSKCTSHEPHA2
SCHEMBL30974474	0.90	CALCRL (0.59)	CALCRLCALCR
SCHEMBL31040681	0.89	EPHA2 (0.56)	CTSLCTSSCTSKCTSHEPHA2
SCHEMBL30231309	0.88	APLNR (0.62)	CTSLCTSSCTSKCTSHKEAP1
SCHEMBL31182765	0.88	CALCR (0.62)	CALCRLKEAP1APLNRMAPK8MAPK9
SCHEMBL30526201	0.88	OPRM1 (0.57)	CTSLCTSSCTSKCTSHEPHA2

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
WO-2024132726-A1	SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF ACUTE ISCHEMIC STROKE IN HUMANS AND DIFFERENTIAL DIAGNOSIS OF ACUTE ISCHEMIC STROKE FROM INTRACRANIAL HEMORRHAGIC STROKE	UNIWERSYTET GDANSKI (PL)	2024-06-27	—	—	WO	disclosed