SCHEMBL9101106

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

nearest known ligand 0.38

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	ACE	P12821	1/20	0.37

▸	MMP2	P08253	2/20	0.37

▸	MMP9	P14780	2/20	0.37

▸	MME	P08473	2/20	0.36

▸	LTA4H	P09960	2/20	0.35

▸	BACE1	P56817	2/20	0.35

▸	CTSD	P07339	1/20	0.35

▸	CTSE	P14091	1/20	0.35

▸	ANPEP	P15144	1/20	0.35

▸	RNPEP	Q9H4A4	1/20	0.35

▸	DNPEP	Q9ULA0	1/20	0.35

▸	MMP7	P09237	1/20	0.34

▸	MMP12	P39900	1/20	0.34

▸	MMP13	P45452	1/20	0.34

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
SCHEMBL8708285	0.82	MAPT (0.30)	—
SCHEMBL7475849	0.77	BACE1 (0.37)	ACEMMP2MMP9MMELTA4H
SCHEMBL8710905	0.76	MMP1 (0.35)	ACEMMP2MMP9BACE1CTSD
SCHEMBL7561050	0.75	MME (0.33)	ACEMMP2MMP9MMELTA4H
SCHEMBL8652349	0.72	LTA4H (0.43)	ACEMMP2MMELTA4H
SCHEMBL8711405	0.71	MEN1 (0.31)	—
SCHEMBL30640793	0.69	MME (0.52)	ACEMMP2MMP9MMEMMP7
SCHEMBL30368897	0.69	MME (0.45)	ACEMMP2MMP9MMELTA4H
SCHEMBL9069940	0.69	CTSK (0.34)	BACE1CTSDCTSE
Xenortide A SCHEMBL29886039	0.68	ANPEP (0.52)	MMP2MMP9ANPEP

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-5529984-A	NEMATOCIDES	BAYER AKTIENGESELLSCHAFT (DE)	1996-06-25	—	—	US	disclosed