SCHEMBL29959682

C[C@@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	SLC6A2	P23975	2/20	0.54

▸	CAPN1	P07384	4/20	0.52

▸	CALCRL	Q16602	6/20	0.48

▸	CTSB	P07858	1/20	0.48

▸	XIAP	P98170	1/20	0.45

▸	OPRM1	P35372	1/20	0.44

▸	RAMP1	O60894	1/20	0.41

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
SCHEMBL30578807	0.92	SLC6A2 (0.53)	SLC6A2CAPN1CALCRLCTSBXIAP
SCHEMBL30525445	0.91	CAPN1 (0.53)	SLC6A2CAPN1CALCRLCTSBXIAP
SCHEMBL29799173	0.90	CALCRL (0.49)	SLC6A2CAPN1CALCRLCTSBXIAP
SCHEMBL31316156	0.84	CALCRL (0.58)	SLC6A2CAPN1CALCRLCTSBXIAP
SCHEMBL29434651	0.84	CAPN1 (0.54)	SLC6A2CAPN1CALCRLCTSBXIAP
SCHEMBL29630466	0.84	XIAP (0.47)	SLC6A2CAPN1CALCRLCTSBXIAP
SCHEMBL31621423	0.83	CAPN1 (0.52)	CAPN1
SCHEMBL29590602	0.83	CAPN1 (0.51)	SLC6A2CAPN1CALCRLCTSBXIAP
SCHEMBL29351176	0.83	OPRM1 (0.51)	SLC6A2CAPN1XIAPOPRM1
SCHEMBL30832896	0.82	OPRM1 (0.47)	SLC6A2CAPN1CALCRLCTSBXIAP

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
CN-115043908-B	Hydroxyapatite targeting peptide and application thereof	浙江大学	2023-10-13	—	—	CN	disclosed
CN-115043908-A	Hydroxyapatite targeting peptide and application thereof	浙江大学	2022-09-13	—	—	CN	disclosed