SCHEMBL30958880

CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	ERBB2	P04626	1/20	0.59

▸	IL23R	Q5VWK5	14/20	0.58

▸	KISS1R	Q969F8	5/20	0.56

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
SCHEMBL29769338	0.90	IL23R (0.58)	ERBB2IL23RKISS1R
SCHEMBL31683263	0.90	GLP1R (0.59)	ERBB2IL23RKISS1R
SCHEMBL31688336	0.87	IL23R (0.57)	ERBB2IL23RKISS1R
SCHEMBL30726544	0.87	GLP1R (0.62)	ERBB2KISS1R
SCHEMBL29394628	0.85	IL23R (0.62)	ERBB2IL23RKISS1R
SCHEMBL29769340	0.85	IL23R (0.65)	IL23R
SCHEMBL30683193	0.85	IL23R (0.65)	IL23R
SCHEMBL30607169	0.85	IL23R (0.65)	IL23R
SCHEMBL30262029	0.84	ERBB2 (0.59)	ERBB2IL23RKISS1R
SCHEMBL31240179	0.84	ERAP2 (0.62)	—

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-117903278-A	Scorpion venom polypeptide LmTx-1 and application thereof	湖南师范大学	2024-04-19	—	—	CN	claimed