SCHEMBL8337010

CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1-c1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	MMP1	P03956	6/20	0.48

▸	MMP2	P08253	4/20	0.48

▸	MMP3	P08254	3/20	0.48

▸	CLPP	Q16740	2/20	0.48

▸	KMT2A	Q03164	1/20	0.47

▸	FCER2	P06734	2/20	0.47

▸	FNTA	P49354	1/20	0.47

▸	FNTB	P49356	1/20	0.47

▸	TDP1	Q9NUW8	1/20	0.47

▸	PSMB5	P28074	3/20	0.46

▸	MMP9	P14780	3/20	0.46

▸	MMP8	P22894	3/20	0.46

▸	MMP7	P09237	2/20	0.46

▸	CAPN1	P07384	1/20	0.45

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
SCHEMBL8337125	0.86	TSHR (0.56)	MMP1MMP2MMP3FCER2CAPN1
SCHEMBL8338416	0.85	TSHR (0.54)	KMT2AFNTAFNTBTDP1
SCHEMBL8334973	0.81	TSHR (0.60)	CAPN1
SCHEMBL7614769	0.79	FPR1 (0.60)	CAPN1
SCHEMBL11963051	0.78	CAPN1 (0.56)	CAPN1
SCHEMBL7323409	0.78	MMP1 (0.51)	MMP1MMP2MMP3FCER2MMP9
SCHEMBL2329474	0.78	FNTA (0.63)	KMT2AFNTAFNTBTDP1
SCHEMBL2329471	0.78	FNTA (0.63)	KMT2AFNTAFNTBTDP1
SCHEMBL8337164	0.78	MMP1 (0.53)	MMP1MMP2MMP3KMT2AFCER2
SCHEMBL9641482	0.77	CTSK (0.64)	CAPN1

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
WO-2004101494-A1	CALPAIN INHIBITORS	CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (ES)	2004-11-25	—	—	WO	disclosed