SCHEMBL6619976

COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)cc1OC1CCCCC1.COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](NC(=O)O[C@H]2CCOC2)[C@@H](C)O)cc1OC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	MLNR	O43193	1/20	0.43

▸	ABCB11	O95342	1/20	0.43

▸	LMNA	P02545	1/20	0.43

▸	CTSD	P07339	1/20	0.43

▸	CYP3A4	P08684	1/20	0.43

▸	CYP3A5	P20815	1/20	0.43

▸	CNR1	P21554	1/20	0.43

▸	TBXAS1	P24557	1/20	0.43

▸	ADRA1A	P35348	1/20	0.43

▸	PDE4D	Q08499	8/20	0.42

▸	PDE4B	Q07343	8/20	0.42

▸	PDE4A	P27815	7/20	0.42

▸	PDE4C	Q08493	7/20	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
SCHEMBL4862489	0.95	MLNR (0.47)	MLNRABCB11LMNACTSDCYP3A4
SCHEMBL4873477	0.95	MLNR (0.47)	MLNRABCB11LMNACTSDCYP3A4
SCHEMBL6617231	0.94	PDE4B (0.43)	PDE4DPDE4BPDE4APDE4C
SCHEMBL4869968	0.92	PDE4B (0.49)	PDE4DPDE4BPDE4APDE4C
SCHEMBL4869453	0.91	PDE4B (0.49)	PDE4DPDE4BPDE4APDE4C
SCHEMBL4871545	0.89	PDE4A (0.46)	PDE4DPDE4BPDE4APDE4C
SCHEMBL4873029	0.88	PDE4A (0.47)	PDE4DPDE4BPDE4APDE4C
SCHEMBL7251478	0.88	PDE4A (0.47)	PDE4DPDE4BPDE4APDE4C
SCHEMBL6616624	0.87	ABCB1 (0.46)	PDE4DPDE4BPDE4APDE4C
SCHEMBL4867893	0.85	MLNR (0.46)	MLNRABCB11LMNACTSDCYP3A4

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-1086076-B1	SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE	VERTEX PHARMA (US)	2004-12-22	—	—	EP	disclosed