SCHEMBL30786598

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

nearest known ligand 0.57

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	KISS1R	Q969F8	14/20	0.57

▸	ERAP2	Q6P179	3/20	0.56

▸	IL1RN	P18510	2/20	0.56

▸	ERAP1	Q9NZ08	1/20	0.56

▸	ECE1	P42892	2/20	0.55

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
SCHEMBL30786597	0.96	ECE1 (0.59)	KISS1RERAP2IL1RNERAP1ECE1
SCHEMBL30786593	0.94	ECE1 (0.58)	KISS1RERAP2IL1RNERAP1ECE1
SCHEMBL29822316	0.93	ECE1 (0.58)	ERAP2IL1RNERAP1ECE1
SCHEMBL30415073	0.93	ERAP2 (0.59)	KISS1RERAP2IL1RNERAP1ECE1
SCHEMBL30544315	0.91	KISS1R (0.60)	KISS1RERAP2IL1RNERAP1ECE1
SCHEMBL30123045	0.91	ECE1 (0.62)	KISS1RERAP2IL1RNERAP1ECE1
SCHEMBL30051680	0.91	ECE1 (0.66)	ERAP2IL1RNERAP1ECE1
SCHEMBL31388720	0.91	ERAP2 (0.64)	KISS1RERAP2IL1RNERAP1ECE1
SCHEMBL29804700	0.91	KISS1R (0.66)	KISS1RERAP2
SCHEMBL30001263	0.90	KISS1R (0.61)	KISS1RERAP2IL1RNECE1

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