SCHEMBL20032916

CO[C@@H]1C([C@@H](O[C@H]2OC(C(=O)N[C@H]3CCC[C@@H](C)NC3=O)=C[C@H](O)[C@@H]2O)C(N)=O)O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H]1OC(=O)C(C)(C)CC(C)(C)C

nearest known ligand 0.80

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	DPAGT1	Q9H3H5	5/20	0.69

▸	TDP1	Q9NUW8	1/20	0.32

▸	P2RY6	Q15077	1/20	0.32

▸	P2RY2	P41231	1/20	0.31

▸	P2RY4	P51582	1/20	0.31

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
SCHEMBL13618306	0.89	DPAGT1 (0.76)	DPAGT1P2RY6P2RY2P2RY4
SCHEMBL13618308	0.87	DPAGT1 (0.69)	DPAGT1
SCHEMBL14584571	0.85	DPAGT1 (0.58)	DPAGT1
SCHEMBL13618320	0.85	DPAGT1 (0.65)	DPAGT1
SCHEMBL13618302	0.85	DPAGT1 (0.65)	DPAGT1
SCHEMBL13618337	0.85	DPAGT1 (0.65)	DPAGT1
SCHEMBL14583915	0.84	DPAGT1 (0.64)	DPAGT1
SCHEMBL14583641	0.83	DPAGT1 (0.65)	DPAGT1P2RY6P2RY2P2RY4
SCHEMBL13618309	0.81	DPAGT1 (0.60)	DPAGT1
SCHEMBL13618324	0.81	DPAGT1 (0.60)	DPAGT1

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-9937192-B2	Combination therapy to treat mycobacterium diseases	SPERO TRINEM, INC. (US)	2018-04-10	—	—	US	disclosed