SCHEMBL13573876

CC(C)(C)OC(=O)N[C@H]1CCCCCCCCC[C@@H](B2O[C@@H]3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4ccccc4C3)CN2C1=O

nearest known ligand 0.36

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	PREP	P48147	10/20	0.36

▸	FAP	Q12884	1/20	0.36

▸	PSMB5	P28074	5/20	0.35

▸	F2	P00734	3/20	0.33

▸	PRSS1	P07477	3/20	0.33

▸	F10	P00742	1/20	0.33

▸	F7	P08709	1/20	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
SCHEMBL8191092	1.00	PREP (0.36)	PREPFAPPSMB5F2PRSS1
SCHEMBL8191736	1.00	PREP (0.36)	PREPFAPPSMB5F2PRSS1
SCHEMBL8201674	0.94	FAP (0.36)	PREPFAPPSMB5F2PRSS1
SCHEMBL13336393	0.94	FAP (0.36)	PREPFAPPSMB5F2PRSS1
SCHEMBL13363332	0.94	FAP (0.36)	PREPFAPPSMB5F2PRSS1
SCHEMBL8189130	0.94	PREP (0.34)	PREPFAPPSMB5F2PRSS1
SCHEMBL13573875	0.94	PREP (0.34)	PREPFAPPSMB5F2PRSS1
SCHEMBL13336391	0.92	FAP (0.35)	PREPFAPPSMB5F2PRSS1
SCHEMBL13363192	0.92	FAP (0.35)	PREPFAPPSMB5F2PRSS1
SCHEMBL8189656	0.91	FAP (0.35)	PREPFAPPSMB5F2PRSS1

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-2009152051-A1	SYNTHESIS OF A MACROCYCLIC HCV PROTEASE INHIBITOR	PHENOMIX CORPORATION (US)	2009-12-17	—	—	WO	disclosed