Trifluoroacetic Acid

SCHEMBL8793852

COC(=O)[C@H](CNC(C)=O)NC(=O)CNCc1cccc2ccccc12.O=C(O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	OPRK1	P41145	5/20	0.46

▸	ALDH1A1	P00352	2/20	0.40

▸	TACR1	P25103	1/20	0.40

▸	KDM4E	B2RXH2	1/20	0.40

▸	TDP1	Q9NUW8	1/20	0.40

▸	KMT2A	Q03164	3/20	0.40

▸	MEN1	O00255	2/20	0.40

▸	MTNR1A	P48039	1/20	0.40

▸	MTNR1B	P49286	1/20	0.40

▸	L3MBTL1	Q9Y468	1/20	0.40

▸	CTSS	P25774	1/20	0.39

▸	CTSK	P43235	1/20	0.39

▸	ATM	Q13315	2/20	0.39

▸	OPRD1	P41143	1/20	0.39

▸	ANPEP	P15144	1/20	0.38

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
SCHEMBL7749727	0.93	OPRK1 (0.48)	OPRK1ALDH1A1TACR1KDM4ETDP1
Trifluoroacetic Acid SCHEMBL8794402	0.91	FOLH1 (0.43)	ALDH1A1TACR1KMT2AMEN1L3MBTL1
SCHEMBL8308110	0.85	FOLH1 (0.47)	ALDH1A1TACR1KMT2AMEN1L3MBTL1
SCHEMBL8304649	0.76	FNTA (0.53)	OPRK1KMT2A
SCHEMBL8304651	0.76	FNTA (0.53)	OPRK1KMT2A
SCHEMBL24130781	0.76	PTPN1 (0.56)	ALDH1A1KDM4ETDP1KMT2AMEN1
SCHEMBL24130782	0.76	PTPN1 (0.56)	ALDH1A1KDM4ETDP1KMT2AMEN1
Trifluoroacetic Acid SCHEMBL8439701	0.73	DPP4 (0.35)	—
SCHEMBL7751346	0.70	FNTA (0.63)	ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL8439130	0.70	FNTA (0.63)	ALDH1A1KMT2AMEN1L3MBTL1

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
EP-0783518-A1	INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE	MERCK & CO. INC. (US)	1997-07-16	—	—	EP	disclosed