SCHEMBL30465929

C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CAPN1	P07384	2/20	0.54

▸	CTSB	P07858	2/20	0.54

▸	CTSL	P07711	3/20	0.52

▸	CTSS	P25774	3/20	0.52

▸	CTSK	P43235	3/20	0.52

▸	CTSH	P09668	1/20	0.52

▸	C5AR1	P21730	2/20	0.51

▸	CXCR4	P61073	2/20	0.49

▸	DPP3	Q9NY33	5/20	0.47

▸	KISS1R	Q969F8	3/20	0.46

▸	CCKBR	P32239	2/20	0.46

▸	GLP1R	P43220	2/20	0.46

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
SCHEMBL30873115	0.89	CAPN1 (0.56)	CAPN1CTSBC5AR1CXCR4DPP3
SCHEMBL30272509	0.88	CTSL (0.48)	CTSLCTSSCTSKCTSHDPP3
SCHEMBL31347814	0.86	C5AR1 (0.48)	CAPN1CTSBCTSLCTSSCTSK
SCHEMBL30997485	0.85	CTSL (0.53)	CAPN1CTSBCTSLCTSSCTSK
SCHEMBL30609009	0.85	CAPN1 (0.60)	CAPN1CTSBCTSLCTSSCTSK
SCHEMBL30254337	0.85	DPP3 (0.55)	CAPN1CTSBCTSLCTSSCTSK
SCHEMBL30834802	0.85	CAPN1 (0.58)	CAPN1CTSBC5AR1KISS1RCCKBR
SCHEMBL29677279	0.85	DPP4 (0.48)	CAPN1CTSBCTSLCTSSCTSK
SCHEMBL31488462	0.84	CALCRL (0.47)	CAPN1CTSB
SCHEMBL31674416	0.83	DPP3 (0.59)	C5AR1DPP3CCKBR

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-113929750-B	Polypeptide with skin barrier repairing function and application thereof	中国药科大学	2023-04-11	—	—	CN	disclosed