SCHEMBL30586992

CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	11/20	0.43

▸	BACE2	Q9Y5Z0	1/20	0.41

▸	NOD1	Q9Y239	1/20	0.40

▸	FNTA	P49354	3/20	0.38

▸	FNTB	P49356	3/20	0.38

▸	PGGT1B	P53609	1/20	0.38

▸	CTSD	P07339	1/20	0.37

▸	BMP1	P13497	1/20	0.36

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
SCHEMBL31069710	0.92	BACE1 (0.44)	BACE1BACE2CTSD
SCHEMBL30980367	0.88	BACE1 (0.47)	BACE1BACE2CTSD
SCHEMBL31412186	0.88	NOD1 (0.49)	NOD1FNTAFNTBPGGT1B
SCHEMBL8748939	0.88	NOD1 (0.49)	NOD1FNTAFNTBPGGT1B
SCHEMBL29022777	0.88	NOD1 (0.49)	BACE1NOD1CTSDBMP1
SCHEMBL29022775	0.88	NOD1 (0.49)	BACE1NOD1CTSDBMP1
SCHEMBL30262027	0.87	BACE1 (0.48)	BACE1CTSD
SCHEMBL30980378	0.87	BACE1 (0.48)	BACE1BACE2CTSD
SCHEMBL30646333	0.87	NOD1 (0.47)	NOD1FNTAFNTBPGGT1B
SCHEMBL30011225	0.85	FNTA (0.44)	NOD1FNTAFNTBPGGT1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20240117017-A1	HIV VACCINES AND METHODS OF MAKING AND USING	GILEAD SCIENCES, INC.	2024-04-11	—	—	US	disclosed
US-11795210-B2	HIV vaccines and methods of making and using	GILEAD SCIENCES, INC. (US)	2023-10-24	—	—	US	disclosed