SCHEMBL17087719

CCCCOCC1O[C@@H](Oc2ccc(CCN=[N+]=[N-])cc2)C(OCCCC)C(O[C@@H]2OC(C(=O)OC)[C@@H](OC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	FGF2	P09038	1/20	0.37

▸	MDK	P21741	1/20	0.37

▸	LGALS3	P17931	2/20	0.36

▸	PTPN1	P18031	10/20	0.36

▸	PTPN2	P17706	2/20	0.35

▸	PTPN6	P29350	2/20	0.35

▸	PTPN11	Q06124	2/20	0.35

▸	PAX8	Q06710	1/20	0.31

▸	NT5E	P21589	1/20	0.31

▸	MAOB	P27338	1/20	0.31

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
SCHEMBL22013737	0.90	FGF2 (0.43)	FGF2MDKLGALS3PTPN1PTPN2
SCHEMBL17087715	0.85	LGALS3 (0.39)	LGALS3PTPN1PTPN2PTPN6PTPN11
SCHEMBL17087681	0.84	PTPN1 (0.44)	FGF2MDKLGALS3PTPN1PTPN2
SCHEMBL19277319	0.80	PTPN1 (0.38)	FGF2MDKPTPN1PTPN2PTPN6
SCHEMBL19276741	0.80	PTPN1 (0.38)	FGF2MDKPTPN1PTPN2PTPN6
SCHEMBL24059832	0.78	LGALS3 (0.38)	FGF2MDKLGALS3PTPN1PTPN2
SCHEMBL20243571	0.78	LGALS3 (0.38)	FGF2MDKLGALS3PTPN1PTPN2
SCHEMBL13746440	0.76	SSTR1 (0.41)	FGF2MDKLGALS3PTPN1PTPN2
SCHEMBL13745334	0.76	SSTR1 (0.41)	FGF2MDKLGALS3PTPN1PTPN2
SCHEMBL19276589	0.76	GJB2 (0.37)	LGALS3PTPN1PTPN2PTPN6PTPN11

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
WO-2015136027-A1	CARBOHYDRATE LIGANDS THAT BIND TO IGM ANTIBODIES AGAINST MYELIN-ASSOCIATED GLYCOPROTEIN	UNIVERSITAET BASEL (CH)	2015-09-17	—	—	WO	disclosed