Trifluoroacetic Acid

SCHEMBL5592864

CC(C)CNN(C(=O)c1ccc(CN2CCN(CCN3CCCCC3)CC2)cc1)c1nc(C#N)ncc1Cl.O=C(O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	CTSS	P25774	3/20	0.47

▸	CTSK	P43235	3/20	0.47

▸	CTSL	P07711	2/20	0.47

▸	CTSB	P07858	1/20	0.47

▸	MELK	Q14680	1/20	0.36

▸	GPR6	P46095	3/20	0.35

▸	TBK1	Q9UHD2	2/20	0.34

▸	CSF1R	P07333	1/20	0.34

▸	SLC2A1	P11166	4/20	0.33

▸	RAPGEF3	O95398	1/20	0.33

▸	IKBKE	Q14164	1/20	0.33

▸	CYP3A4	P08684	1/20	0.33

▸	CYP2C9	P11712	1/20	0.33

▸	AXL	P30530	1/20	0.33

▸	HRH3	Q9Y5N1	3/20	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
Trifluoroacetic Acid SCHEMBL5592645	0.99	CTSS (0.47)	CTSSCTSKCTSLCTSBMELK
Trifluoroacetic Acid SCHEMBL5592759	0.93	CTSL (0.47)	CTSSCTSKCTSLCTSBMELK
SCHEMBL5592691	0.92	CTSS (0.49)	CTSSCTSKCTSLCTSBMELK
Trifluoroacetic Acid SCHEMBL5592942	0.87	CTSS (0.47)	CTSSCTSKCTSLCTSBTBK1
SCHEMBL5592632	0.86	CTSL (0.45)	CTSSCTSKCTSLCTSBMELK
SCHEMBL5592735	0.85	CTSS (0.49)	CTSSCTSKCTSLCTSBMELK
SCHEMBL5593156	0.83	CTSL (0.43)	CTSSCTSKCTSLCTSBCYP3A4
SCHEMBL5592852	0.83	CTSL (0.43)	CTSSCTSKCTSLCTSBMELK
SCHEMBL5592704	0.83	CTSS (0.59)	CTSSCTSKCTSLCTSBMELK
SCHEMBL5592660	0.82	CTSS (0.49)	CTSSCTSKCTSLCTSBTBK1

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-2007025775-A2	CYSTEINE PROTEASE INHIBITORS	GLAXO GROUP LIMITED (GB)	2007-03-08	—	—	WO	claimed