Trifluoroacetic Acid

SCHEMBL7424902

C[C@@H](O)[C@H](N)C(=O)NC(=O)c1ccc2c(c1)NCC2.NCc1cccc(C(=O)N(CC(=O)O)c2ccccc2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	ACHE	P22303	4/20	0.34

▸	NAMPT	P43490	2/20	0.31

▸	F2	P00734	2/20	0.31

▸	AGTR2	P50052	1/20	0.31

▸	SLC7A5	Q01650	1/20	0.30

▸	HDAC11	Q96DB2	1/20	0.30

▸	HDAC8	Q9BY41	1/20	0.30

▸	HDAC6	Q9UBN7	1/20	0.30

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 SCHEMBL5212873	0.94	ACHE (0.34)	ACHENAMPTF2AGTR2SLC7A5
Trifluoroacetic Acid SCHEMBL5213057	0.94	ACHE (0.34)	ACHENAMPTF2AGTR2SLC7A5
SCHEMBL7426885	0.92	ACHE (0.35)	ACHENAMPTSLC7A5
Trifluoroacetic Acid SCHEMBL7431702	0.90	NAMPT (0.34)	ACHENAMPTSLC7A5HDAC11HDAC8
Trifluoroacetic Acid SCHEMBL5212837	0.87	ACHE (0.36)	ACHEHDAC11HDAC8HDAC6
SCHEMBL5215026	0.86	ACHE (0.31)	ACHE
Trifluoroacetic Acid SCHEMBL5210906	0.85	ACHE (0.39)	ACHEF2HDAC11HDAC8HDAC6
Trifluoroacetic Acid SCHEMBL7422801	0.85	ACHE (0.35)	ACHE
SCHEMBL7428225	0.85	ACHE (0.34)	ACHENAMPTSLC7A5
SCHEMBL7427153	0.85	ACHE (0.34)	ACHENAMPTSLC7A5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1240154-A1	SERINE PROTEASE INHIBITORS	Tularik Limited (GB)	2002-09-18	—	—	EP	disclosed
WO-2001044226-A1	SERINE PROTEASE INHIBITORS	TULARIK LIMITED (GB)	2001-06-21	—	—	WO	disclosed