SCHEMBL8453054

CC(C)CN(C[C@H](CCc1ccccc1)C(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)O)C(Cc1ccccc1)c1ccc(-c2cccc3ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	MME	P08473	7/20	0.42

▸	ACE	P12821	5/20	0.42

▸	PPARG	P37231	6/20	0.40

▸	PPARA	Q07869	6/20	0.40

▸	MMP2	P08253	1/20	0.39

▸	MMP3	P08254	1/20	0.39

▸	CTSB	P07858	1/20	0.36

▸	KDM4E	B2RXH2	1/20	0.35

▸	ALDH1A1	P00352	1/20	0.35

▸	HPGD	P15428	1/20	0.35

▸	MAP1LC3B	Q9GZQ8	1/20	0.35

▸	MAP1LC3A	Q9H492	1/20	0.35

▸	NTSR1	P30989	1/20	0.34

▸	ECE1	P42892	2/20	0.33

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
SCHEMBL8450247	0.90	MME (0.47)	MMEACEMMP3CTSBECE1
SCHEMBL8450113	0.89	MME (0.43)	MMEACEMMP2MMP3CTSB
SCHEMBL7568408	0.88	MME (0.52)	MMEACEPPARGPPARAMMP2
SCHEMBL7568400	0.88	MME (0.52)	MMEACEPPARGPPARAMMP2
SCHEMBL8446387	0.88	MME (0.45)	MMEACECTSBKDM4EALDH1A1
SCHEMBL8453051	0.87	MME (0.47)	MMEACEPPARGPPARAMMP2
SCHEMBL8447081	0.86	PPARG (0.42)	MMEACEPPARGPPARACTSB
SCHEMBL8453092	0.84	MME (0.43)	MMEACEMMP3CTSBECE1
SCHEMBL8451246	0.83	MME (0.47)	MMEACEMMP3CTSB
SCHEMBL8446495	0.83	MME (0.43)	MMEACEMMP3CTSBECE1

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