SCHEMBL6524705

CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	4/20	0.48

▸	CTSD	P07339	3/20	0.48

▸	XIAP	P98170	1/20	0.45

▸	GRB2	P62993	1/20	0.44

▸	CALCRL	Q16602	3/20	0.44

▸	CMA1	P23946	1/20	0.43

▸	NTSR2	O95665	2/20	0.43

▸	NTSR1	P30989	2/20	0.43

▸	NMUR2	Q9GZQ4	1/20	0.42

▸	STAT3	P40763	1/20	0.41

▸	AGTR1	P30556	1/20	0.41

▸	AGTR2	P50052	1/20	0.41

▸	SLC6A2	P23975	1/20	0.41

▸	KDM1A	O60341	1/20	0.41

▸	REN	P00797	1/20	0.40

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
SCHEMBL7401470	0.87	CALCRL (0.48)	BACE1CTSDGRB2CALCRLCMA1
SCHEMBL30495673	0.87	BACE1 (0.49)	BACE1CTSDCALCRLKDM1A
SCHEMBL29641718	0.86	GRB2 (0.51)	BACE1CTSDXIAPGRB2CALCRL
SCHEMBL30402067	0.86	KDM1A (0.47)	NTSR2NTSR1KDM1A
SCHEMBL30936189	0.86	KDM1A (0.47)	NTSR2NTSR1KDM1A
SCHEMBL28463049	0.86	GRB2 (0.51)	XIAPGRB2CMA1NTSR2NTSR1
SCHEMBL28463047	0.86	GRB2 (0.51)	XIAPGRB2CMA1NTSR2NTSR1
SCHEMBL28463044	0.86	GRB2 (0.51)	XIAPGRB2CMA1NTSR2NTSR1
SCHEMBL30307496	0.86	GRB2 (0.48)	BACE1CTSDXIAPGRB2CALCRL
SCHEMBL7400113	0.85	CALCRL (0.51)	BACE1CTSDGRB2CALCRLCMA1

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-20050100951-A1	3D format biochips and method of use	BIOCEPT, INC. (US)	2005-05-12	—	—	US	disclosed