SCHEMBL30786587

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CS)[C@@H](C)CC)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	FNTA	P49354	6/20	0.53

▸	FNTB	P49356	6/20	0.53

▸	OPRD1	P41143	9/20	0.52

▸	OPRM1	P35372	8/20	0.52

▸	OPRK1	P41145	1/20	0.51

▸	PGGT1B	P53609	1/20	0.49

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
SCHEMBL30786579	0.86	CTSD (0.48)	OPRD1OPRM1
SCHEMBL31721789	0.84	OPRM1 (0.60)	FNTAFNTBOPRD1OPRM1OPRK1
SCHEMBL30839325	0.83	CCKAR (0.51)	FNTAFNTBOPRD1OPRM1OPRK1
SCHEMBL30839330	0.83	CCKAR (0.51)	FNTAFNTBOPRD1OPRM1OPRK1
SCHEMBL30839332	0.82	BACE1 (0.54)	FNTAFNTB
SCHEMBL11664542	0.82	OPRD1 (0.68)	OPRD1OPRM1OPRK1
SCHEMBL11664532	0.82	OPRD1 (0.68)	OPRD1OPRM1OPRK1
SCHEMBL29530419	0.82	ACE (0.48)	FNTAFNTB
SCHEMBL30736117	0.82	FNTA (0.64)	FNTAFNTBPGGT1B
SCHEMBL11060666	0.81	OPRD1 (0.78)	OPRD1OPRM1OPRK1

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-117815402-A	Coupling medicine of targeting STAT3 protein and application thereof	国家纳米科学中心	2024-04-05	—	—	CN	disclosed