SCHEMBL11399274

CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC[C@@H](N)C(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(Cc1ccccc1)C(=O)O)C(=O)N[C@H]([C]=O)Cc1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CTSD	P07339	4/20	0.43

▸	CASP3	P42574	2/20	0.42

▸	CASP1	P29466	2/20	0.42

▸	CASP9	P55211	1/20	0.42

▸	CTSK	P43235	2/20	0.41

▸	CTSL	P07711	1/20	0.41

▸	CTSS	P25774	1/20	0.41

▸	CASP7	P55210	1/20	0.41

▸	REN	P00797	4/20	0.40

▸	BACE1	P56817	2/20	0.40

▸	OPRD1	P41143	4/20	0.39

▸	CCKBR	P32239	3/20	0.39

▸	CCKAR	P32238	3/20	0.39

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
SCHEMBL9565155	0.92	CTSD (0.47)	CTSDCASP3CASP1CASP9CTSK
SCHEMBL9411663	0.77	KLK5 (0.52)	CTSDCTSKCTSS
SCHEMBL7275592	0.76	GNPAT (0.58)	CASP3CASP1CASP9CTSLCASP7
SCHEMBL29770301	0.76	CTSS (0.60)	CTSDCASP3CASP1CTSKCTSL
SCHEMBL29396254	0.76	PPARA (0.56)	CTSKCTSS
SCHEMBL3937813	0.76	PPARA (0.56)	CTSKCTSS
SCHEMBL11199973	0.76	CTSS (0.54)	CTSKCTSLCTSSBACE1
SCHEMBL8612027	0.74	CTSS (0.54)	CTSDCASP3CASP1CASP9CTSK
SCHEMBL31300256	0.74	CTSK (0.52)	CTSKCTSS
SCHEMBL10763941	0.73	CTSS (0.53)	CTSKCTSLCTSS

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-4298523-A	OLIGOPEPTIDES OF ARGININE, LYSINE, VALINE, SARCOSINE, ASPARTIC OR GLUTAMIC ACID, AND TYROSINE	ORTHO PHARMACEUTICAL CORPORATION (US)	1981-11-03	—	—	US	claimed