SCHEMBL4583013

COC[C@H](C)COCc1ccc([C@H]2[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)CN(C(=O)O)C[C@@H]2O)cc1

nearest known ligand 0.32

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	SLC6A1	P30531	3/20	0.32

▸	SLC6A11	P48066	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
SCHEMBL3874317	0.92	RORC (0.35)	SLC6A1SLC6A11
SCHEMBL3874324	0.92	RORC (0.35)	SLC6A1SLC6A11
SCHEMBL1038998	0.86	GBA1 (0.36)	—
SCHEMBL1038997	0.86	GBA1 (0.36)	—
SCHEMBL1039869	0.86	GBA1 (0.36)	—
SCHEMBL1039871	0.86	GBA1 (0.36)	—
SCHEMBL4439291	0.82	REN (0.38)	—
SCHEMBL3873565	0.82	REN (0.38)	—
SCHEMBL6043626	0.82	REN (0.43)	—
SCHEMBL3904345	0.82	SLC6A11 (0.44)	SLC6A1SLC6A11

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-1908762-A2	Organic compounds	Speedel Experimenta AG (CH)	2008-04-09	—	—	EP	disclosed