Trifluoromethanesulfonic Acid

SCHEMBL2168178

CC(C)S(=O)(=O)NCCCN(CCc1ccc(Oc2nc3ccccc3s2)cc1)C1CC1.O=S(=O)(O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	LTA4H	P09960	18/20	0.43

▸	KCNH2	Q12809	11/20	0.43

▸	EPHX2	P34913	2/20	0.43

▸	PPARG	P37231	1/20	0.37

▸	PPARA	Q07869	1/20	0.37

▸	CYP1A2	P05177	1/20	0.36

▸	CYP3A4	P08684	1/20	0.36

▸	CYP2D6	P10635	1/20	0.36

▸	CYP2C19	P33261	1/20	0.36

▸	SMN1; SMN2	Q16637	1/20	0.36

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
Trifluoromethanesulfonic Acid SCHEMBL29674564	1.00	LTA4H (0.43)	LTA4HKCNH2EPHX2PPARGPPARA
SCHEMBL14093064	0.94	LTA4H (0.46)	LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL4688950	0.88	LTA4H (0.45)	LTA4HKCNH2EPHX2CYP1A2CYP3A4
Trifluoromethanesulfonic Acid SCHEMBL4688951	0.86	LTA4H (0.48)	LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL2167847	0.85	LTA4H (0.48)	LTA4HKCNH2EPHX2CYP1A2CYP3A4
Trifluoromethanesulfonic Acid SCHEMBL2169608	0.83	LTA4H (0.46)	LTA4HKCNH2EPHX2PPARGPPARA
Trifluoromethanesulfonic Acid SCHEMBL4688948	0.82	LTA4H (0.51)	LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL2169610	0.81	LTA4H (0.50)	LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL2168481	0.80	LTA4H (0.56)	LTA4HKCNH2EPHX2PPARGPPARA
SCHEMBL2171303	0.80	LTA4H (0.56)	LTA4HKCNH2EPHX2CYP1A2CYP3A4

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
JP-4726238-B2	—	—	2011-07-20	—	—	JP	claimed