SCHEMBL9084440

COC(=O)CCCCCCCCO[C@@H]1O[C@H](COCc2ccccc2)[C@@H](O[C@@H]2O[C@@H]3COC(c4ccccc4)O[C@@H]3[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)[C@H](O[C@@H]2O[C@@H](C)[C@@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)[C@H]1NC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 18)

	gene	UniProt	supporting neighbours	confidence
▸	L3MBTL1	Q9Y468	1/20	0.49

▸	FGF2	P09038	1/20	0.37

▸	MDK	P21741	1/20	0.37

▸	SELP	P16109	2/20	0.36

▸	NT5E	P21589	1/20	0.36

▸	PTPN1	P18031	7/20	0.35

▸	TACR1	P25103	3/20	0.34

▸	SSTR1	P30872	1/20	0.33

▸	SSTR2	P30874	1/20	0.33

▸	SSTR4	P31391	1/20	0.33

▸	SSTR3	P32745	1/20	0.33

▸	SSTR5	P35346	1/20	0.33

▸	TP53	P04637	1/20	0.33

▸	MDM2	Q00987	1/20	0.33

▸	SELE	P16581	2/20	0.32

▸	PTPN2	P17706	2/20	0.32

▸	PTPN11	Q06124	2/20	0.32

▸	PTPN6	P29350	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
SCHEMBL8831282	0.97	L3MBTL1 (0.46)	L3MBTL1FGF2MDKSELPNT5E
SCHEMBL8401790	0.97	L3MBTL1 (0.46)	L3MBTL1FGF2MDKSELPNT5E
SCHEMBL8401376	0.92	L3MBTL1 (0.48)	L3MBTL1FGF2MDKSELPNT5E
SCHEMBL8398187	0.90	L3MBTL1 (0.49)	L3MBTL1FGF2MDKSELPNT5E
SCHEMBL8831333	0.89	L3MBTL1 (0.47)	L3MBTL1FGF2MDKSELPNT5E
SCHEMBL8931477	0.88	L3MBTL1 (0.60)	L3MBTL1SELPTACR1SSTR1SSTR2
SCHEMBL8931484	0.88	L3MBTL1 (0.60)	L3MBTL1SELPTACR1SSTR1SSTR2
SCHEMBL11505517	0.88	L3MBTL1 (0.45)	L3MBTL1FGF2MDKSELPNT5E
SCHEMBL8398197	0.87	L3MBTL1 (0.42)	L3MBTL1FGF2MDKSELPNT5E
SCHEMBL8831161	0.86	L3MBTL1 (0.53)	L3MBTL1FGF2MDKSELPSELE

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-5580858-A	Immunosuppressive and tolerogenic modified Lewisx compounds	ALBERTA RESEARCH COUNCIL (CA)	1996-12-03	—	—	US	disclosed