SCHEMBL30578445

CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	TLR2	O60603	2/20	0.48

▸	PTPN1	P18031	6/20	0.45

▸	F2RL1	P55085	1/20	0.42

▸	GRB2	P62993	1/20	0.41

▸	PCSK9	Q8NBP7	1/20	0.41

▸	CTSB	P07858	1/20	0.41

▸	CTSK	P43235	1/20	0.41

▸	CTSD	P07339	2/20	0.40

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
SCHEMBL30578433	1.00	TLR2 (0.48)	TLR2PTPN1F2RL1GRB2PCSK9
SCHEMBL30578470	0.94	TLR2 (0.50)	TLR2
SCHEMBL30578436	0.94	TLR2 (0.50)	TLR2
SCHEMBL30578434	0.94	TLR2 (0.50)	TLR2
SCHEMBL30578429	0.92	F2 (0.48)	TLR2PTPN1CTSD
SCHEMBL30578464	0.92	F2 (0.48)	TLR2PTPN1CTSD
SCHEMBL30578467	0.92	F2 (0.48)	TLR2PTPN1CTSD
SCHEMBL30395747	0.91	TLR2 (0.49)	TLR2PTPN1GRB2
SCHEMBL30395722	0.91	TLR2 (0.49)	TLR2PTPN1GRB2
SCHEMBL30395431	0.90	RXFP1 (0.43)	TLR2PTPN1PCSK9

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-116970035-A	G-based (XXKK) n Antibacterial peptide synthesized by I template and application thereof	兰州大学	2023-10-31	—	—	CN	disclosed