SCHEMBL7277098

CC(C)CC(CP(=O)(O)C(CC1CCCCC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)NC=O

nearest known ligand 0.51

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	ACE2	Q9BYF1	1/20	0.51

▸	MME	P08473	2/20	0.51

▸	ECE1	P42892	2/20	0.51

▸	CTSL	P07711	2/20	0.47

▸	REN	P00797	2/20	0.47

▸	MMP3	P08254	1/20	0.46

▸	CTSB	P07858	1/20	0.46

▸	CAPN1	P07384	2/20	0.46

▸	PSMB5	P28074	2/20	0.46

▸	PSMB1	P20618	1/20	0.45

▸	PSMB2	P49721	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
SCHEMBL10717502	0.91	ACE2 (0.55)	ACE2MMEECE1CTSLREN
SCHEMBL7274934	0.85	REN (0.45)	ACE2MMEECE1CTSLREN
SCHEMBL7308401	0.82	ECE1 (0.53)	ACE2MMEECE1RENMMP3
SCHEMBL10716071	0.80	ACE2 (0.67)	ACE2MMEECE1
SCHEMBL7282841	0.80	REN (0.45)	ACE2MMEECE1CTSLREN
SCHEMBL7284698	0.79	ACE2 (0.51)	ACE2MMEECE1REN
SCHEMBL7283367	0.79	ACE2 (0.51)	ACE2MMEECE1REN
SCHEMBL7283423	0.77	ACE2 (0.60)	ACE2MMEECE1CTSLCTSB
SCHEMBL10718394	0.75	ACE2 (0.58)	ACE2MMEECE1
SCHEMBL10715965	0.74	ACE2 (0.53)	ACE2MMEECE1CTSLCTSB

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
EP-0209897-A2	Peptide enzyme inhibitors	MERCK & CO. INC. (US)	1987-01-28	—	—	EP	claimed