SCHEMBL29846492

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

nearest known ligand 0.56

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	14/20	0.56

▸	CTSD	P07339	5/20	0.53

▸	CTSB	P07858	1/20	0.52

▸	CTSK	P43235	1/20	0.52

▸	REN	P00797	2/20	0.49

▸	BACE2	Q9Y5Z0	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
SCHEMBL31514336	0.89	BACE1 (0.51)	BACE1CTSD
SCHEMBL29608723	0.88	CTSD (0.51)	BACE1CTSDCTSBCTSKREN
SCHEMBL29378009	0.87	CTSD (0.58)	CTSDREN
SCHEMBL31461858	0.86	BACE1 (0.59)	BACE1CTSDREN
SCHEMBL30504291	0.86	BACE1 (0.55)	BACE1CTSDCTSBCTSK
SCHEMBL30504288	0.85	BACE1 (0.58)	BACE1CTSDCTSBCTSK
SCHEMBL29450265	0.85	BACE1 (0.58)	BACE1CTSDCTSBCTSK
SCHEMBL29437876	0.85	ACE (0.55)	CTSD
SCHEMBL29396756	0.84	CTSB (0.57)	BACE1CTSDCTSBCTSK
SCHEMBL29398058	0.84	CTSB (0.57)	BACE1CTSDCTSBCTSK

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
US-20220259264-A1	POLYPEPTIDE AND USE THEREOF	BGI SHENZHEN (CN)	2022-08-18	—	—	US	claimed