SCHEMBL15975405

CC1C(OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](COCc2ccccc2)O[C@@H]1O[C@@H]1C(O)[C@H](OC2[C@H](O[C@@H]3C(O)[C@H](C)OC(C)[C@@H]3OCc3ccccc3)OC(C)[C@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)OC(C)[C@@H]1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	GJB2	P29033	4/20	0.47

▸	GJA1	P17302	2/20	0.42

▸	PTPN1	P18031	7/20	0.42

▸	PTPN2	P17706	2/20	0.42

▸	PTPN11	Q06124	2/20	0.42

▸	SSTR1	P30872	1/20	0.42

▸	SSTR2	P30874	1/20	0.42

▸	SSTR4	P31391	1/20	0.42

▸	SSTR3	P32745	1/20	0.42

▸	SSTR5	P35346	1/20	0.42

▸	NT5E	P21589	1/20	0.41

▸	CDC25B	P30305	5/20	0.41

▸	SLC6A2	P23975	2/20	0.40

▸	PTPN6	P29350	1/20	0.40

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
SCHEMBL15975421	0.95	GJB2 (0.49)	GJB2GJA1PTPN1PTPN2PTPN11
SCHEMBL15975389	0.94	GJB2 (0.48)	GJB2GJA1PTPN1PTPN2PTPN11
SCHEMBL13129935	0.91	GJB2 (0.47)	GJB2PTPN1PTPN2PTPN11SSTR1
SCHEMBL13130007	0.91	GJB2 (0.50)	GJB2GJA1PTPN1PTPN2PTPN11
SCHEMBL13129789	0.91	GJB2 (0.50)	GJB2PTPN1PTPN2PTPN11SSTR1
SCHEMBL13129826	0.91	GJB2 (0.50)	GJB2PTPN1PTPN2PTPN11SSTR1
SCHEMBL15975388	0.91	GJB2 (0.50)	GJB2PTPN1PTPN2PTPN11SSTR1
SCHEMBL13129876	0.91	GJB2 (0.50)	GJB2PTPN1PTPN2PTPN11SSTR1
SCHEMBL13129827	0.91	GJB2 (0.50)	GJB2PTPN1PTPN2PTPN11SSTR1
SCHEMBL15975406	0.90	NT5E (0.43)	GJB2GJA1PTPN1PTPN2PTPN11

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