Trifluoroacetic Acid

SCHEMBL4787685

C[N+](C)(C)C[C@@H](CC(=O)O)Nc1cccc(-c2cc[nH]n2)c1.O=C([O-])C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	RAF1	P04049	8/20	0.36

▸	BRAF	P15056	4/20	0.36

▸	ITGB3	P05106	1/20	0.33

▸	ITGAV	P06756	1/20	0.33

▸	MME	P08473	2/20	0.32

▸	MEN1	O00255	1/20	0.31

▸	KMT2A	Q03164	1/20	0.31

▸	MAPT	P10636	2/20	0.31

▸	KDM4E	B2RXH2	1/20	0.31

▸	HTT	P42858	1/20	0.31

▸	SMN1; SMN2	Q16637	1/20	0.31

▸	PSD	A5PKW4	1/20	0.31

▸	CTSA	P10619	1/20	0.31

▸	PRKD1	Q15139	1/20	0.31

▸	TP53	P04637	1/20	0.31

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 SCHEMBL3681768	0.86	PRKD1 (0.41)	PRKD1
SCHEMBL4787690	0.85	RAF1 (0.36)	RAF1BRAFMAPTPRKD1TP53
Trifluoroacetic Acid SCHEMBL3681763	0.80	PRKD1 (0.42)	ITGB3ITGAVMMEPRKD1
SCHEMBL13409967	0.77	PRKD1 (0.43)	PRKD1
SCHEMBL3681771	0.71	PRKD1 (0.41)	PRKD1
Trifluoroacetic Acid SCHEMBL3690065	0.67	MEN1 (0.41)	MEN1KMT2AHTT
Trifluoroacetic Acid SCHEMBL3690062	0.67	MEN1 (0.41)	MEN1KMT2AHTT
SCHEMBL8352356	0.64	PLK1 (0.42)	MEN1KMT2AMAPT
Trifluoroacetic Acid SCHEMBL9057618	0.64	HDAC3 (0.41)	PRKD1
SCHEMBL4787426	0.64	PTPN11 (0.45)	HTTSMN1; SMN2

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-2008109991-A1	INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER	UNIVERSITY HEALTH NETWORK (CA)	2008-09-18	—	—	WO	claimed