Ether

SCHEMBL11499394

CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O)cc1.CCOCC

nearest known ligand 0.54

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	SMN1; SMN2	Q16637	4/20	0.54

▸	POLB	P06746	2/20	0.54

▸	MAPT	P10636	2/20	0.51

▸	ACE	P12821	2/20	0.47

▸	GFER	P55789	2/20	0.47

▸	LMNA	P02545	1/20	0.47

▸	GAA	P10253	2/20	0.46

▸	ALDH1A1	P00352	1/20	0.46

▸	CA1	P00915	2/20	0.46

▸	CA2	P00918	2/20	0.46

▸	TSHR	P16473	2/20	0.42

▸	MEN1	O00255	1/20	0.42

▸	KMT2A	Q03164	1/20	0.42

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
SCHEMBL11427504	0.93	POLB (0.61)	SMN1; SMN2POLBMAPTACEGFER
Water SCHEMBL11499395	0.92	POLB (0.60)	SMN1; SMN2POLBMAPTACEGFER
Ether SCHEMBL11499704	0.85	SMN1; SMN2 (0.54)	SMN1; SMN2POLBACELMNAGAA
SCHEMBL10403618	0.81	POLB (0.77)	SMN1; SMN2POLBMAPTACELMNA
SCHEMBL10404111	0.81	SMN1; SMN2 (0.64)	SMN1; SMN2POLBMAPTACELMNA
SCHEMBL11429878	0.80	POLB (0.62)	SMN1; SMN2POLBACELMNA
SCHEMBL11426920	0.77	POLB (0.61)	SMN1; SMN2POLBMAPTACELMNA
Water SCHEMBL11499705	0.77	POLB (0.60)	SMN1; SMN2POLBMAPTACELMNA
SCHEMBL11518887	0.73	SMN1; SMN2 (0.60)	SMN1; SMN2POLBLMNAGAAALDH1A1
SCHEMBL10402349	0.73	ACE (0.56)	SMN1; SMN2POLBMAPTACELMNA

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-4187216-A	ELASTASE INHIBITORS	HOFFMANN-LA ROCHE INC. (US)	1980-02-05	—	—	US	disclosed