SCHEMBL5771495

COc1ccc(S(=O)(=O)NC(CC(C)(C)CCN(Cc2ccccc2)Cc2ccccc2)[C@H](O)[C@H](Cc2ccccc2)NC(=O)Oc2ccoc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	OPRK1	P41145	2/20	0.39

▸	MMP2	P08253	2/20	0.39

▸	MMP9	P14780	1/20	0.39

▸	LIMK2	P53671	1/20	0.38

▸	HTT	P42858	1/20	0.36

▸	OPRM1	P35372	1/20	0.36

▸	KEAP1	Q14145	1/20	0.36

▸	MMP1	P03956	1/20	0.35

▸	MMP3	P08254	1/20	0.35

▸	MMP7	P09237	1/20	0.35

▸	MMP13	P45452	1/20	0.35

▸	ALDH1A1	P00352	1/20	0.35

▸	POLB	P06746	1/20	0.35

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
SCHEMBL5770237	0.91	MMP2 (0.41)	MMP2MMP9LIMK2HTTKEAP1
SCHEMBL5771248	0.89	MMP9 (0.40)	MMP2MMP9HTTKEAP1MMP1
SCHEMBL6199952	0.88	PSEN1 (0.43)	OPRK1MMP2MMP9LIMK2OPRM1
SCHEMBL1602483	0.87	MMP2 (0.44)	OPRK1MMP2MMP9LIMK2HTT
SCHEMBL5771490	0.82	—	—
SCHEMBL5771493	0.82	—	—
SCHEMBL1602322	0.80	ABCB1 (0.51)	—
SCHEMBL1600931	0.80	ABCB1 (0.51)	—
SCHEMBL6617050	0.77	MMP2 (0.43)	MMP2MMP9HTTMMP1MMP3
SCHEMBL1601963	0.77	MMP2 (0.48)	MMP2MMP9LIMK2HTTKEAP1

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-1637518-A2	Inhibitors of aspartyl protease	Vertex Pharmaceuticals Incorporated (US)	2006-03-22	—	—	EP	disclosed