SCHEMBL29616369

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

nearest known ligand 0.50

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	17/20	0.50

▸	FOLH1	Q04609	2/20	0.48

▸	CTSD	P07339	4/20	0.47

▸	BACE2	Q9Y5Z0	2/20	0.47

▸	GRIN2D	O15399	1/20	0.47

▸	GRIN3B	O60391	1/20	0.47

▸	GRIN1	Q05586	1/20	0.47

▸	GRIN2A	Q12879	1/20	0.47

▸	GRIN2B	Q13224	1/20	0.47

▸	GRIN2C	Q14957	1/20	0.47

▸	GRIN3A	Q8TCU5	1/20	0.47

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
SCHEMBL31484252	0.96	BACE1 (0.53)	BACE1FOLH1CTSDBACE2GRIN2D
SCHEMBL29679867	0.95	FOLH1 (0.53)	BACE1FOLH1CTSDBACE2GRIN2D
SCHEMBL29679678	0.95	FOLH1 (0.53)	BACE1FOLH1CTSDBACE2GRIN2D
SCHEMBL30834756	0.93	FOLH1 (0.51)	BACE1FOLH1CTSDBACE2GRIN2D
SCHEMBL29680077	0.92	FOLH1 (0.51)	BACE1FOLH1CTSDBACE2GRIN2D
SCHEMBL30286850	0.92	FOLH1 (0.51)	BACE1FOLH1CTSDBACE2GRIN2D
SCHEMBL31672197	0.92	FOLH1 (0.54)	BACE1FOLH1CTSDBACE2
SCHEMBL29679880	0.91	FOLH1 (0.53)	BACE1FOLH1CTSDBACE2GRIN2D
SCHEMBL31097742	0.91	FOLH1 (0.58)	BACE1FOLH1CTSDBACE2
SCHEMBL31097709	0.91	FOLH1 (0.58)	BACE1FOLH1CTSDBACE2

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-4132572-A1	RECOMBINANT VACCINES AND METHODS OF USE THEREOF	Vanderbilt University (US)	2023-02-15	—	—	EP	disclosed
EP-4126023-A1	STABILIZED VACCINE COMPOSITIONS	Janssen Vaccines & Prevention B.V. (NL)	2023-02-08	—	—	EP	disclosed
US-20220118081-A1	HIV vaccine regimens	JANSSEN VACCINES & PREVENTION BV (NL)	2022-04-21	—	—	US	disclosed