SCHEMBL7033002

C#C[C@@]1(OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C(O)C(=O)c2ccc(Cl)cc2)O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.34

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	P2RY2	P41231	2/20	0.34

▸	P2RY6	Q15077	1/20	0.34

▸	P2RY14	Q15391	1/20	0.34

▸	NT5E	P21589	1/20	0.32

▸	SMN1; SMN2	Q16637	1/20	0.31

▸	POLB	P06746	1/20	0.30

▸	P2RY4	P51582	1/20	0.30

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
SCHEMBL8426931	0.85	ALDH1A1 (0.38)	P2RY2P2RY6P2RY14NT5ESMN1; SMN2
SCHEMBL7037198	0.81	NT5E (0.35)	P2RY2P2RY6P2RY14NT5EP2RY4
SCHEMBL7035782	0.78	NT5E (0.41)	P2RY2P2RY6P2RY14NT5EPOLB
SCHEMBL7037107	0.75	NT5E (0.44)	P2RY2P2RY6P2RY14NT5EPOLB
SCHEMBL8427016	0.75	NT5E (0.39)	P2RY2P2RY6P2RY14NT5EPOLB
SCHEMBL7031850	0.70	NT5E (0.39)	P2RY2P2RY6P2RY14NT5EP2RY4
SCHEMBL8429234	0.70	NT5E (0.40)	P2RY2P2RY6P2RY14NT5EP2RY4
SCHEMBL7162782	0.70	NT5E (0.47)	P2RY2P2RY6P2RY14NT5EPOLB
SCHEMBL8426953	0.69	NT5E (0.39)	P2RY2P2RY6P2RY14NT5EPOLB
SCHEMBL7030197	0.69	ALDH1A1 (0.44)	NT5ESMN1; SMN2

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-0842942-B1	D-PENTOFURANOSE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF	TAIHO PHARMACEUTICAL CO LTD (JP)	2003-03-12	—	—	EP	disclosed