Trifluoroacetic Acid

SCHEMBL9074504

CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)O)Cc1cccc2ccccc12)NC(=O)Cc1c[nH]cn1.O=C(O)C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	FNTA	P49354	14/20	0.64

▸	FNTB	P49356	14/20	0.64

▸	MME	P08473	1/20	0.37

▸	ACE	P12821	1/20	0.37

▸	CPA1	P15085	1/20	0.37

▸	ACE2	Q9BYF1	1/20	0.37

▸	PIN1	Q13526	1/20	0.34

▸	PGGT1B	P53609	1/20	0.34

▸	MEN1	O00255	1/20	0.33

▸	KMT2A	Q03164	1/20	0.33

▸	SMN1; SMN2	Q16637	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
Trifluoroacetic Acid SCHEMBL8654786	1.00	FNTA (0.64)	FNTAFNTBMMEACECPA1
SCHEMBL8135488	0.96	FNTA (0.69)	FNTAFNTBMMEACECPA1
SCHEMBL7622955	0.96	FNTA (0.69)	FNTAFNTBMMEACECPA1
SCHEMBL6056469	0.90	FNTA (0.61)	FNTAFNTBMMEACECPA1
SCHEMBL6056467	0.90	FNTA (0.61)	FNTAFNTBMMEACECPA1
SCHEMBL6056559	0.88	FNTA (0.69)	FNTAFNTBMMEACECPA1
SCHEMBL6056556	0.88	FNTA (0.69)	FNTAFNTBMMEACECPA1
SCHEMBL6056370	0.87	FNTA (0.64)	FNTAFNTBMMEACECPA1
SCHEMBL7628260	0.87	FNTA (0.64)	FNTAFNTBMMEACECPA1
SCHEMBL7622462	0.86	FNTA (0.69)	FNTAFNTBMMEACECPA1

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
US-5576293-A	TETRAPEPTIDES, ANTICARCINOGENIC AGENTS	MERCK & CO., INC. (US)	1996-11-19	—	—	US	disclosed
WO-1995009001-A1	INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE	MERCK & CO., INC. (US)	1995-04-06	—	—	WO	disclosed