Trifluoroacetic Acid

SCHEMBL7942839

Cc1cc(COc2ccc(S(=O)(=O)CC3(C(=O)NO)CCOCC3)cc2)cc(C)n1.O=C(O)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	ADAM17	P78536	15/20	0.54

▸	MMP13	P45452	15/20	0.54

▸	MMP2	P08253	12/20	0.54

▸	MMP1	P03956	5/20	0.54

▸	MMP9	P14780	3/20	0.54

▸	MMP14	P50281	2/20	0.54

▸	ABCB11	O95342	1/20	0.54

▸	MMP3	P08254	1/20	0.54

▸	MMP7	P09237	1/20	0.54

▸	MMP10	P09238	1/20	0.54

▸	MMP8	P22894	1/20	0.54

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
SCHEMBL7359550	0.94	ADAM17 (0.60)	ADAM17MMP13MMP2MMP1MMP9
SCHEMBL7429059	0.85	ADAM17 (0.58)	ADAM17MMP13MMP2MMP1MMP9
Trifluoroacetic Acid SCHEMBL7952820	0.79	ADAM17 (0.54)	ADAM17MMP13MMP2MMP1MMP9
SCHEMBL7429048	0.78	MMP13 (0.58)	ADAM17MMP13MMP2MMP1MMP9
Trifluoroacetic Acid SCHEMBL6789520	0.75	ADAM17 (0.91)	ADAM17MMP13MMP2MMP9
SCHEMBL8000267	0.74	MMP13 (0.75)	ADAM17MMP13MMP2MMP1MMP9
SCHEMBL7306093	0.73	MMP1 (0.81)	ADAM17MMP13MMP2MMP1MMP9
SCHEMBL3940023	0.73	MMP2 (0.79)	ADAM17MMP13MMP2MMP1MMP9
SCHEMBL7301710	0.73	MMP1 (0.80)	ADAM17MMP13MMP2MMP1MMP9
SCHEMBL3984079	0.73	MMP1 (0.80)	ADAM17MMP13MMP2MMP1MMP9

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
US-6268379-B1	Substituted aryl hydroxamic acids as metalloproteinase inhibitors	DUPONT PHARMACEUTICALS COMPANY	2001-07-31	—	—	US	disclosed