SCHEMBL17636462

CCCCOCC1O[C@@H](O[C@@H]2C(COCCCC)O[C@H](O[C@H]3C(COCCCC)O[C@H](OCCN(Cc4ccccc4)C(=O)OCc4ccccc4)C(OCCCC)[C@H]3OCCCC)C(OCCCC)[C@H]2OCCCC)[C@@H](OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)[C@@H]1O[C@@H]1OC(C(=O)OC)[C@@H](O[C@H]2OC(COCCCC)[C@H](OCCCC)[C@H](OCCCC)C2OCCCC)C(OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	FGF2	P09038	2/20	0.40

▸	MDK	P21741	1/20	0.40

▸	SSTR1	P30872	5/20	0.37

▸	SSTR2	P30874	5/20	0.37

▸	SSTR4	P31391	5/20	0.37

▸	SSTR3	P32745	5/20	0.37

▸	SSTR5	P35346	5/20	0.37

▸	NT5E	P21589	1/20	0.36

▸	TACR1	P25103	3/20	0.36

▸	PTPN1	P18031	8/20	0.35

▸	PTPN2	P17706	2/20	0.33

▸	PTPN6	P29350	2/20	0.33

▸	PTPN11	Q06124	2/20	0.33

▸	FGF1	P05230	1/20	0.32

▸	ADRB2	P07550	1/20	0.32

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
SCHEMBL17636467	0.99	FGF2 (0.40)	FGF2MDKSSTR1SSTR2SSTR4
SCHEMBL17636477	0.99	FGF2 (0.40)	FGF2MDKSSTR1SSTR2SSTR4
SCHEMBL17636505	0.99	FGF2 (0.40)	FGF2MDKSSTR1SSTR2SSTR4
SCHEMBL17636515	0.95	FGF2 (0.37)	FGF2MDKSSTR1SSTR2SSTR4
SCHEMBL17636461	0.95	FGF2 (0.37)	FGF2MDKSSTR1SSTR2SSTR4
SCHEMBL17636468	0.93	FGF2 (0.36)	FGF2MDKSSTR1SSTR2SSTR4
SCHEMBL17636464	0.91	NT5E (0.39)	FGF2MDKSSTR1SSTR2SSTR4
SCHEMBL17643426	0.90	NT5E (0.35)	FGF2MDKSSTR1SSTR2SSTR4
SCHEMBL17636488	0.90	NT5E (0.35)	FGF2MDKSSTR1SSTR2SSTR4
SCHEMBL17636486	0.88	LGALS8 (0.37)	FGF2MDKSSTR1SSTR2SSTR4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2016046420-A1	VACCINES AGAINST STREPTOCOCCUS PNEUMONIAE SEROTYPE 8	MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE)	2016-03-31	—	—	WO	disclosed
EP-3000820-A1	Synthetic vaccines against Streptococcus pneumoniae serotype 8	Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE)	2016-03-30	—	—	EP	disclosed