SCHEMBL19453256

CCCCOCC1O[C@@H](OCCCN=[N+]=[N-])[C@@H](OCCCC)C(OCCCC)[C@@H]1O[C@@H]1OC(COCCCC)[C@H](OC(C)=O)C(O)[C@@H]1OCCCC

nearest known ligand 0.41

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	GJB2	P29033	4/20	0.41

▸	HPSE	Q9Y251	7/20	0.39

▸	CD209	Q9NNX6	1/20	0.37

▸	BDNF	P23560	3/20	0.37

▸	PTN	P21246	2/20	0.37

▸	MDK	P21741	2/20	0.37

▸	LGALS3	P17931	2/20	0.35

▸	VEGFA	P15692	3/20	0.34

▸	BMP2	P12643	1/20	0.34

▸	CXCL12	P48061	1/20	0.34

▸	SHH	Q15465	1/20	0.34

▸	FGF1	P05230	4/20	0.33

▸	FGF2	P09038	4/20	0.33

▸	MAPK1	P28482	1/20	0.33

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
SCHEMBL19453257	0.94	GJB2 (0.40)	GJB2HPSECD209BDNFPTN
SCHEMBL18315051	0.85	GJB2 (0.46)	GJB2HPSEVEGFABMP2CXCL12
SCHEMBL25964309	0.84	LGALS3 (0.46)	GJB2LGALS3
SCHEMBL17326150	0.81	GJB2 (0.36)	GJB2HPSEVEGFAFGF1FGF2
SCHEMBL19682240	0.78	CD209 (0.48)	GJB2HPSECD209BDNFPTN
SCHEMBL19453278	0.78	HPSE (0.35)	GJB2HPSECD209VEGFAFGF1
SCHEMBL18744562	0.78	GJB2 (0.43)	GJB2HPSEVEGFAFGF1FGF2
SCHEMBL21750082	0.78	CYP2D6 (0.52)	HPSE
SCHEMBL21750081	0.78	CYP2D6 (0.52)	HPSE
SCHEMBL22842843	0.78	LGALS3 (0.46)	GJB2LGALS3

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-2017175082-A1	IMMUNOGENIC COMPOSITIONS	GSK VACCINES S.R.L. (IT)	2017-10-12	—	—	WO	disclosed