SCHEMBL23736076

CCCCc1ccc(-c2ccc(C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)N[C@H]3COCCCCOCC[C@@H](C(=O)O)NC(=O)[C@H](N)NC3=O)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CTSD	P07339	2/20	0.39

▸	CA1	P00915	2/20	0.37

▸	CA2	P00918	2/20	0.37

▸	KLK7	P49862	1/20	0.36

▸	KLK5	Q9Y337	1/20	0.36

▸	ADAM17	P78536	1/20	0.35

▸	REN	P00797	2/20	0.35

▸	SUCNR1	Q9BXA5	3/20	0.35

▸	CTSK	P43235	2/20	0.34

▸	CPB2	Q96IY4	1/20	0.34

▸	BACE1	P56817	1/20	0.34

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
SCHEMBL23736231	0.97	CTSD (0.40)	CTSDCA1CA2KLK7KLK5
SCHEMBL23736081	0.96	CTSD (0.41)	CTSDCA1CA2KLK7KLK5
SCHEMBL23736288	0.95	CTSD (0.39)	CTSDCA1CA2KLK7KLK5
SCHEMBL15727190	0.94	CTSD (0.47)	CTSDCA1CA2KLK7KLK5
SCHEMBL15727312	0.90	CTSD (0.47)	CTSDCA1CA2ADAM17REN
SCHEMBL15727219	0.89	CTSD (0.48)	CTSDCA1CA2KLK7KLK5
SCHEMBL15727185	0.89	CTSD (0.46)	CTSDCA1CA2KLK7KLK5
SCHEMBL15727249	0.85	CTSD (0.47)	CTSDCA1CA2SUCNR1BACE1
SCHEMBL15750326	0.85	CTSD (0.46)	CTSDCA1CA2ADAM17REN
SCHEMBL15727173	0.85	CTSD (0.46)	CTSDCA1CA2ADAM17REN

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-2922829-B1	MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS	RQX PHARMACEUTICALS INC (US)	2021-08-11	—	—	EP	disclosed