SCHEMBL31575679

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

nearest known ligand 0.67

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	20/20	0.67

▸	BACE2	Q9Y5Z0	5/20	0.67

▸	CTSD	P07339	2/20	0.63

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
SCHEMBL30176493	0.91	VIPR2 (0.61)	BACE1BACE2CTSD
SCHEMBL29736133	0.89	BACE1 (0.72)	BACE1BACE2CTSD
SCHEMBL29453324	0.89	VIPR2 (0.66)	BACE1BACE2CTSD
SCHEMBL38659301	0.89	BACE1 (0.63)	BACE1BACE2CTSD
SCHEMBL31000915	0.89	BACE1 (0.59)	BACE1BACE2CTSD
SCHEMBL31462099	0.89	BACE1 (0.66)	BACE1BACE2CTSD
SCHEMBL30273399	0.88	BACE1 (0.52)	BACE1BACE2CTSD
SCHEMBL31753885	0.88	BACE1 (0.57)	BACE1BACE2CTSD
SCHEMBL38658074	0.88	BACE1 (0.60)	BACE1BACE2CTSD
SCHEMBL29777765	0.88	BACE1 (0.59)	BACE1BACE2CTSD

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-120019812-A	Artificial toad venom composition and application thereof	南京中医药大学	2025-05-20	—	—	CN	claimed