Trifluoroacetic Acid

SCHEMBL1908460

Nc1ccc(CNC(=O)[C@H](Cc2ccc(F)c(F)c2)NC(=O)[C@H](O)Cc2ccccc2)cn1.O=C(O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	KLKB1	P03952	6/20	0.47

▸	PSMB1	P20618	1/20	0.45

▸	PSMB5	P28074	1/20	0.45

▸	PSMB2	P49721	1/20	0.45

▸	PDPK1	O15530	1/20	0.42

▸	F2	P00734	4/20	0.41

▸	TMPRSS6	Q8IU80	4/20	0.41

▸	MASP2	O00187	1/20	0.40

▸	FCER2	P06734	2/20	0.40

▸	MMP1	P03956	1/20	0.39

▸	NAMPT	P43490	1/20	0.39

▸	CMA1	P23946	1/20	0.39

▸	CTRC	Q99895	1/20	0.39

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
SCHEMBL1901817	0.96	KLKB1 (0.49)	KLKB1PSMB1PSMB5PSMB2PDPK1
SCHEMBL1901814	0.96	KLKB1 (0.49)	KLKB1PSMB1PSMB5PSMB2PDPK1
Trifluoroacetic Acid SCHEMBL1906072	0.95	NAMPT (0.42)	KLKB1PSMB1PSMB5PSMB2PDPK1
SCHEMBL1903701	0.90	PDPK1 (0.48)	KLKB1PSMB1PSMB5PSMB2PDPK1
SCHEMBL1903704	0.90	PDPK1 (0.48)	KLKB1PSMB1PSMB5PSMB2PDPK1
SCHEMBL1905072	0.90	NAMPT (0.46)	KLKB1PSMB1PSMB5PSMB2PDPK1
SCHEMBL1903988	0.90	NAMPT (0.46)	KLKB1PSMB1PSMB5PSMB2PDPK1
SCHEMBL1901348	0.89	KLKB1 (0.42)	KLKB1PSMB1PSMB5PSMB2PDPK1
SCHEMBL1901351	0.89	KLKB1 (0.42)	KLKB1PSMB1PSMB5PSMB2PDPK1
SCHEMBL1904349	0.89	KLKB1 (0.46)	KLKB1PSMB1PSMB5PSMB2PDPK1

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-2011051671-A1	AMINOPYRIDINE DERIVATIVES AS KALLIKREIN INHIBITORS	VANTIA LIMITED (GB)	2011-05-05	—	—	WO	disclosed