SCHEMBL30786602

CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	MAGI3	Q5TCQ9	1/20	0.56

▸	ACE	P12821	2/20	0.55

▸	IL23R	Q5VWK5	1/20	0.53

▸	ECE1	P42892	6/20	0.52

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
SCHEMBL30786592	0.92	MAGI3 (0.62)	MAGI3ACEECE1
SCHEMBL30276238	0.88	IL23R (0.59)	ACEIL23R
SCHEMBL30276236	0.88	IL23R (0.59)	ACEIL23R
SCHEMBL30051562	0.88	OPRM1 (0.60)	MAGI3ACEECE1
SCHEMBL30490366	0.88	ACE (0.71)	ACEECE1
SCHEMBL30051669	0.88	OPRM1 (0.59)	ACEECE1
SCHEMBL31632621	0.87	GHSR (0.63)	IL23R
SCHEMBL29937650	0.87	GHSR (0.63)	IL23R
SCHEMBL31514537	0.87	IL23R (0.61)	IL23R
SCHEMBL11206825	0.87	IL23R (0.61)	IL23R

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