SCHEMBL30438116

CC(=O)N[C@H]1[C@@H](O[C@@H]2O[C@H](CC(O)[C@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)[C@H](O)[C@H](O)[C@H]2NC(=O)/C=C/CC(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O

nearest known ligand 0.83

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	MEN1	O00255	1/20	0.59

▸	APEX1	P27695	1/20	0.59

▸	KMT2A	Q03164	1/20	0.59

▸	MAPT	P10636	1/20	0.52

▸	SMN1; SMN2	Q16637	1/20	0.52

▸	P2RY14	Q15391	5/20	0.52

▸	P2RY2	P41231	2/20	0.52

▸	P2RY6	Q15077	2/20	0.52

▸	P2RY4	P51582	1/20	0.52

▸	OGT	O15294	2/20	0.46

▸	SLC28A1	O00337	1/20	0.45

▸	SLC28A2	O43868	1/20	0.45

▸	SLC29A1	Q99808	1/20	0.45

▸	SLC28A3	Q9HAS3	1/20	0.45

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
SCHEMBL13210232	1.00	MEN1 (0.59)	MEN1APEX1KMT2AMAPTSMN1; SMN2
SCHEMBL25269457	1.00	MEN1 (0.59)	MEN1APEX1KMT2AMAPTSMN1; SMN2
SCHEMBL3738697	1.00	MEN1 (0.59)	MEN1APEX1KMT2AMAPTSMN1; SMN2
SCHEMBL25251763	1.00	MEN1 (0.59)	MEN1APEX1KMT2AMAPTSMN1; SMN2
Tunicamycin SCHEMBL29352796	0.96	MEN1 (0.55)	MEN1APEX1KMT2AMAPTSMN1; SMN2
SCHEMBL20412283	0.94	MEN1 (0.52)	MEN1APEX1KMT2AMAPTSMN1; SMN2
Tunicamycin B SCHEMBL21597944	0.91	MEN1 (0.72)	MEN1APEX1KMT2AMAPTSMN1; SMN2
SCHEMBL21597951	0.91	MEN1 (0.72)	MEN1APEX1KMT2AMAPTSMN1; SMN2
Streptovirudin B2A SCHEMBL21597942	0.91	MEN1 (0.72)	MEN1APEX1KMT2AMAPTSMN1; SMN2
SCHEMBL21597940	0.91	MEN1 (0.72)	MEN1APEX1KMT2AMAPTSMN1; 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-4197535-A1	TREATMENT OF RESPIRATORY VIRUS INFECTION BY MODULATION OF THE N-GLYCOSYLATION PATHWAY	VIR Biotechnology, Inc. (US)	2023-06-21	—	—	EP	disclosed