SCHEMBL8316593

O=[N+]([O-])c1ccc(O[C@H]2[C@@H](OC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H](O)[C@@H]2OCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	NT5E	P21589	1/20	0.48

▸	TYMP	P19971	4/20	0.34

▸	SSTR5	P35346	1/20	0.34

▸	SLC6A2	P23975	1/20	0.34

▸	NPC1	O15118	1/20	0.33

▸	RAB9A	P51151	1/20	0.33

▸	HTT	P42858	1/20	0.33

▸	MAPT	P10636	1/20	0.32

▸	ALDH1A1	P00352	1/20	0.32

▸	LMNA	P02545	1/20	0.32

▸	SMN1; SMN2	Q16637	1/20	0.32

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
SCHEMBL7962356	1.00	NT5E (0.48)	NT5ETYMPSSTR5SLC6A2NPC1
SCHEMBL7957678	0.92	NT5E (0.52)	NT5ETYMPSSTR5SLC6A2NPC1
SCHEMBL8317663	0.92	NT5E (0.52)	NT5ETYMPSSTR5SLC6A2NPC1
SCHEMBL7962358	0.91	NT5E (0.49)	NT5ESSTR5NPC1RAB9AHTT
SCHEMBL7955444	0.90	NT5E (0.50)	NT5ETYMPSSTR5SLC6A2NPC1
SCHEMBL7955443	0.90	NT5E (0.50)	NT5ETYMPSSTR5SLC6A2NPC1
SCHEMBL7957682	0.85	NT5E (0.54)	NT5ESSTR5NPC1RAB9AHTT
SCHEMBL7958046	0.82	NT5E (0.44)	NT5ETYMPNPC1RAB9AMAPT
SCHEMBL7957980	0.81	NT5E (0.52)	NT5ESSTR5NPC1RAB9AHTT
SCHEMBL7957675	0.81	NT5E (0.50)	NT5ESSTR5NPC1RAB9AHTT

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-0819135-B1	SUGAR-MODIFIED CYTOSTATICS	BAYER AG (DE)	1999-11-17	—	—	EP	disclosed