SCHEMBL15975417

COC(=O)NC1[C@H](OC2[C@H](C)OC(C)[C@H](OCc3ccccc3)[C@@H]2O[C@H]2O[C@@H](COCc3ccccc3)[C@@H](OCc3ccccc3)C(OCc3ccccc3)C2C)OC(CO)[C@@H](O)[C@@H]1O

nearest known ligand 0.41

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	GJB2	P29033	3/20	0.41

▸	PTPN1	P18031	7/20	0.40

▸	SLC6A2	P23975	2/20	0.40

▸	CDC25B	P30305	5/20	0.40

▸	LGALS8	O00214	1/20	0.39

▸	NT5E	P21589	1/20	0.39

▸	TP53	P04637	1/20	0.38

▸	MDM2	Q00987	1/20	0.38

▸	PTPN2	P17706	3/20	0.38

▸	PTPN6	P29350	2/20	0.38

▸	PTPN11	Q06124	2/20	0.38

▸	GJA1	P17302	1/20	0.37

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
SCHEMBL13130031	0.94	PTPN1 (0.45)	GJB2PTPN1SLC6A2CDC25BNT5E
SCHEMBL15975418	0.93	TP53 (0.45)	GJB2TP53MDM2
SCHEMBL16489969	0.88	SLC6A2 (0.43)	SLC6A2LGALS8
SCHEMBL13130034	0.87	POLB (0.44)	GJB2TP53MDM2
SCHEMBL13130030	0.82	GJB2 (0.45)	GJB2PTPN1SLC6A2CDC25BNT5E
SCHEMBL16489968	0.81	SLC6A2 (0.44)	SLC6A2
SCHEMBL15975389	0.80	GJB2 (0.48)	GJB2PTPN1SLC6A2CDC25BNT5E
SCHEMBL15975421	0.80	GJB2 (0.49)	GJB2PTPN1SLC6A2CDC25BNT5E
SCHEMBL15975412	0.79	MAG (0.43)	GJB2PTPN1SLC6A2CDC25BLGALS8
SCHEMBL15975401	0.79	GJB2 (0.49)	GJB2PTPN1CDC25BNT5EPTPN2

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-8815239-B2	Glycoconjugates and use thereof as vaccine against Shigella flexneri serotype 3a and X	INSTITUT PASTEUR (FR)	2014-08-26	—	—	US	disclosed