SCHEMBL7322837

CCN1CCC[C@]1(C(N)=O)N(C(=O)C(CC(C)C)N[C@H](CCN1C(=O)c2cccc3cccc(c23)C1=O)P(=O)(OC)OC)C(CCCCNC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	MMP1	P03956	7/20	0.35

▸	MMP9	P14780	7/20	0.35

▸	MMP3	P08254	5/20	0.35

▸	TPSAB1	Q15661	2/20	0.35

▸	TPSD1	Q9BZJ3	2/20	0.35

▸	TPSG1	Q9NRR2	2/20	0.35

▸	TGM2	P21980	2/20	0.34

▸	FOLH1	Q04609	4/20	0.34

▸	CA1	P00915	1/20	0.32

▸	CA2	P00918	1/20	0.32

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
SCHEMBL6412870	0.83	MMP1 (0.37)	MMP1MMP9MMP3
SCHEMBL7324972	0.77	MMP1 (0.45)	MMP1MMP9MMP3
SCHEMBL7321903	0.76	TGM2 (0.41)	MMP1MMP9MMP3TGM2
SCHEMBL7329953	0.71	MMP1 (0.50)	MMP1MMP9MMP3
SCHEMBL8345863	0.70	MMP1 (0.33)	MMP1MMP9MMP3
SCHEMBL7322317	0.68	MMP1 (0.47)	MMP1MMP9MMP3
SCHEMBL7328790	0.67	SLC1A3 (0.44)	—
SCHEMBL7324452	0.67	MMP1 (0.45)	MMP1MMP9MMP3
SCHEMBL7322384	0.66	MMP1 (0.54)	MMP1MMP9MMP3
SCHEMBL7323303	0.66	MMP9 (0.52)	MMP1MMP9MMP3

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0612324-A1	PHOSPHONOPEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY	SMITHKLINE BEECHAM PLC (GB)	1994-08-31	—	—	EP	disclosed
WO-1993009136-A1	PHOSPHONOPEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY	SMITHKLINE BEECHAM PLC (GB)	1993-05-13	—	—	WO	disclosed