SCHEMBL8450247

CC(C)CN(C[C@H](CCc1ccccc1)C(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)O)C(Cc1ccccc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	MME	P08473	8/20	0.47

▸	ACE	P12821	6/20	0.47

▸	CTSB	P07858	1/20	0.41

▸	FDFT1	P37268	1/20	0.40

▸	MMP3	P08254	4/20	0.38

▸	MMP1	P03956	2/20	0.37

▸	ECE1	P42892	2/20	0.37

▸	ACE2	Q9BYF1	2/20	0.37

▸	CPA1	P15085	1/20	0.37

▸	CTSL	P07711	1/20	0.37

▸	CTSK	P43235	1/20	0.37

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
SCHEMBL8450113	0.94	MME (0.43)	MMEACECTSBMMP3
SCHEMBL8451246	0.93	MME (0.47)	MMEACECTSBFDFT1MMP3
SCHEMBL8446495	0.93	MME (0.43)	MMEACECTSBMMP3MMP1
SCHEMBL8453092	0.93	MME (0.43)	MMEACECTSBMMP3MMP1
SCHEMBL8451272	0.91	PTGES (0.39)	MMEACECTSBFDFT1MMP3
SCHEMBL8449905	0.91	MME (0.52)	MMEACEFDFT1MMP3ACE2
SCHEMBL8453054	0.90	MME (0.42)	MMEACECTSBMMP3ECE1
SCHEMBL8450057	0.89	MME (0.40)	MMEACECTSBMMP3MMP1
SCHEMBL8453137	0.89	MME (0.43)	MMEACECTSBFDFT1MMP3
SCHEMBL8451265	0.89	MME (0.49)	MMEACEFDFT1MMP3ACE2

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-5968980-A	ENDOPEPTIDASE 24.11 INHIBITORS	SANTEN PHARMACEUTICAL CO., LTD. (JP)	1999-10-19	—	—	US	disclosed