SCHEMBL6913735

C=CC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CNC(=O)C=C)NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	1/20	0.41

▸	PRSS1	P07477	1/20	0.41

▸	CMA1	P23946	16/20	0.37

▸	CTRC	Q99895	2/20	0.36

▸	ELANE	P08246	1/20	0.34

▸	KMT2A	Q03164	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
SCHEMBL6913290	0.88	—	—
SCHEMBL6913295	0.85	CMA1 (0.41)	F2PRSS1CMA1CTRC
SCHEMBL6913834	0.84	F2 (0.42)	F2PRSS1CMA1CTRC
SCHEMBL6914255	0.84	CMA1 (0.41)	F2PRSS1CMA1CTRC
SCHEMBL6914206	0.84	CMA1 (0.41)	F2PRSS1CMA1CTRC
SCHEMBL8021556	0.79	F2 (0.43)	F2PRSS1CMA1CTRCKMT2A
SCHEMBL8221022	0.74	PRCP (0.36)	F2PRSS1
SCHEMBL15178618	0.74	CYP3A4 (0.43)	ELANE
SCHEMBL6885026	0.74	CMA1 (0.41)	F2PRSS1CMA1CTRC
SCHEMBL18799517	0.72	ELANE (0.42)	CMA1ELANE

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-2011002807-A1	HCV PROTEASE INHIBITORS AND USES THEREOF	AVILA THERAPEUTICS, INC. (US)	2011-01-06	—	—	WO	disclosed