SCHEMBL24059832

COC(=O)C1O[C@@H](OC2[C@@H](OC(C)=O)C(COCc3ccccc3)O[C@@H](Oc3ccc(CCN=[N+]=[N-])cc3)[C@H]2OCc2ccccc2)C(OC(C)=O)C(O)[C@@H]1OC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	LGALS3	P17931	2/20	0.38

▸	GJB2	P29033	5/20	0.38

▸	GJA1	P17302	3/20	0.37

▸	PTPN1	P18031	3/20	0.37

▸	SSTR4	P31391	2/20	0.36

▸	FGF2	P09038	1/20	0.36

▸	MDK	P21741	1/20	0.36

▸	PTPN2	P17706	1/20	0.36

▸	NT5E	P21589	1/20	0.36

▸	MCHR1	Q99705	1/20	0.35

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
SCHEMBL20243571	1.00	LGALS3 (0.38)	LGALS3GJB2GJA1PTPN1SSTR4
SCHEMBL18412656	0.91	LGALS3 (0.37)	LGALS3GJB2GJA1PTPN1SSTR4
SCHEMBL18412646	0.88	PTPN1 (0.36)	LGALS3GJB2PTPN1SSTR4FGF2
SCHEMBL22013737	0.88	FGF2 (0.43)	LGALS3GJB2PTPN1FGF2MDK
SCHEMBL18412655	0.83	FGF2 (0.36)	LGALS3GJB2PTPN1SSTR4FGF2
SCHEMBL22013736	0.79	NT5E (0.47)	LGALS3GJB2PTPN1SSTR4PTPN2
SCHEMBL24059833	0.79	NT5E (0.47)	LGALS3GJB2PTPN1SSTR4PTPN2
SCHEMBL18394464	0.79	NT5E (0.47)	LGALS3GJB2PTPN1SSTR4PTPN2
SCHEMBL17087719	0.78	FGF2 (0.37)	LGALS3PTPN1FGF2MDKPTPN2
SCHEMBL18412650	0.78	LGALS3 (0.41)	LGALS3GJB2GJA1PTPN1SSTR4

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-3915999-A1	CARBOHYDRATE LIGANDS THAT BIND TO IGM ANTIBODIES AGAINST MYELIN-ASSOCIATED GLYCOPROTEIN	Universität Basel (CH)	2021-12-01	—	—	EP	disclosed