SCHEMBL7322952

COC(=O)C(C(C)C)N(C(=O)CCCCCc1ccccc1)C(=O)C(N)C(CO)CNC(=O)[C@H](C)N(C(=O)OC(C)(C)C)C(=O)[C@H](C)NC(=O)[C@@H](N)CO

nearest known ligand 0.33

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CTSS	P25774	1/20	0.32

▸	CTSK	P43235	1/20	0.32

▸	TLR2	O60603	1/20	0.31

▸	REN	P00797	1/20	0.31

▸	MMP1	P03956	1/20	0.30

▸	MMP3	P08254	1/20	0.30

▸	MMP9	P14780	1/20	0.30

▸	LNPEP	Q9UIQ6	1/20	0.30

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
SCHEMBL7329470	1.00	CTSS (0.32)	CTSSCTSKTLR2RENMMP1
SCHEMBL7330032	0.94	ERAP2 (0.33)	—
SCHEMBL7330004	0.94	ERAP2 (0.33)	—
SCHEMBL7321718	0.94	CTSS (0.32)	CTSSTLR2
SCHEMBL7330559	0.90	LTA4H (0.34)	LNPEP
SCHEMBL7322631	0.89	CASP1 (0.34)	—
SCHEMBL7332732	0.89	CASP1 (0.34)	—
SCHEMBL7332144	0.89	CASP1 (0.34)	—
SCHEMBL7329900	0.87	MMP8 (0.31)	TLR2
SCHEMBL7328746	0.86	SYK (0.38)	CTSSCTSKMMP1MMP3MMP9

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-1991015121-A1	METHOD FOR TREATING FUNGAL INFECTION	SMITHKLINE BEECHAM CORPORATION (US)	1991-10-17	—	—	WO	claimed
WO-1991015121-A1	METHOD FOR TREATING FUNGAL INFECTION	SMITHKLINE BEECHAM CORPORATION (US)	1991-10-17	—	—	WO	disclosed
WO-1990000399-A1	RETROVIRAL PROTEASE BINDING PEPTIDES	SMITHKLINE BECKMAN CORPORATION (US)	1990-01-25	—	—	WO	disclosed
EP-0352000-A2	Retroviral protease binding peptides	SMITHKLINE BEECHAM CORPORATION (US)	1990-01-24	—	—	EP	disclosed