SCHEMBL30662329

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.61

▸	BACE1	P56817	7/20	0.58

▸	OPRL1	P41146	1/20	0.56

▸	OPRM1	P35372	2/20	0.55

▸	OPRD1	P41143	2/20	0.55

▸	OPRK1	P41145	2/20	0.55

▸	CTSD	P07339	1/20	0.54

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
SCHEMBL29733684	0.93	TFPI (0.60)	TFPIBACE1OPRL1OPRM1OPRD1
SCHEMBL31480024	0.93	OPRL1 (0.63)	TFPIBACE1OPRL1OPRM1OPRD1
SCHEMBL29525489	0.91	TFPI (0.63)	TFPIOPRM1OPRD1OPRK1
SCHEMBL29777807	0.90	TFPI (0.49)	TFPIBACE1OPRL1OPRM1OPRD1
SCHEMBL29777832	0.90	TFPI (0.49)	TFPIBACE1OPRL1OPRM1OPRD1
SCHEMBL30642059	0.90	TFPI (0.66)	TFPIOPRL1
SCHEMBL30435346	0.90	TFPI (0.66)	TFPIOPRL1
SCHEMBL30721576	0.90	TFPI (0.61)	TFPIOPRM1OPRD1OPRK1
SCHEMBL10747004	0.90	OPRL1 (0.59)	TFPIBACE1OPRL1CTSD
SCHEMBL10746970	0.90	OPRL1 (0.59)	TFPIBACE1OPRL1CTSD

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-117343129-A	Dry-cured ham-derived anti-inflammatory active peptide, and preparation method and identification method thereof	合肥工业大学	2024-01-05	—	—	CN	claimed
CN-117343129-A	Dry-cured ham-derived anti-inflammatory active peptide, and preparation method and identification method thereof	合肥工业大学	2024-01-05	—	—	CN	disclosed