SCHEMBL30969006

CSCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	APLNR	P35414	3/20	0.57

▸	CTSL	P07711	3/20	0.53

▸	CTSS	P25774	3/20	0.53

▸	CTSK	P43235	3/20	0.53

▸	CTSH	P09668	1/20	0.53

▸	F2	P00734	5/20	0.51

▸	CALCR	P30988	3/20	0.50

▸	C5AR1	P21730	2/20	0.50

▸	REN	P00797	1/20	0.48

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
SCHEMBL30969039	0.96	APLNR (0.55)	APLNRCTSLCTSSCTSKCTSH
SCHEMBL31505800	0.93	CTSL (0.56)	APLNRCTSLCTSSCTSKCTSH
SCHEMBL31505801	0.90	CTSL (0.56)	APLNRCTSLCTSSCTSKCTSH
SCHEMBL30881984	0.87	APLNR (0.51)	APLNRF2CALCRC5AR1
SCHEMBL29630353	0.87	F2 (0.55)	APLNRF2C5AR1
SCHEMBL29655724	0.87	F2 (0.60)	APLNRF2C5AR1
SCHEMBL30205303	0.87	CTSL (0.53)	APLNRCTSLCTSSCTSKCTSH
SCHEMBL29824884	0.86	F2 (0.55)	APLNRF2
SCHEMBL30456911	0.86	APLNR (0.52)	APLNRCTSLCTSSCTSKCTSH
SCHEMBL31505799	0.86	F2 (0.58)	F2

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-118063544-A	Antibacterial peptide or composition and application thereof	中国科学院大连化学物理研究所	2024-05-24	—	—	CN	claimed
CN-118063544-A	Antibacterial peptide or composition and application thereof	中国科学院大连化学物理研究所	2024-05-24	—	—	CN	disclosed