SCHEMBL24689230

CC(=O)NC1C(OC2C(C(=O)O)OC(OC3C(O)C(CO)OC(C(C)(C)C)C3NC(C)=O)C(O)C2O)OC(CO)C(O)C1OC1OC(C(=O)NC2C(O)OC(CO)C(O)C2O)C(OC(C)(C)C)C(O)C1O

nearest known ligand 0.42

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK1	P28482	2/20	0.42

▸	MDK	P21741	3/20	0.41

▸	BDNF	P23560	3/20	0.40

▸	PTN	P21246	2/20	0.40

▸	CD69	Q07108	1/20	0.40

▸	LGALS3	P17931	3/20	0.39

▸	CHIA	Q9BZP6	1/20	0.38

▸	LGALS8	O00214	1/20	0.38

▸	LGALS4	P56470	1/20	0.38

▸	ALDH1A1	P00352	1/20	0.36

▸	THRB	P10828	1/20	0.36

▸	HPSE	Q9Y251	2/20	0.34

▸	F10	P00742	1/20	0.34

▸	FGF1	P05230	1/20	0.34

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
SCHEMBL26479163	0.92	MDK (0.45)	MAPK1MDKBDNFPTNCD69
SCHEMBL22137175	0.88	LGALS3 (0.42)	MAPK1MDKBDNFPTNCD69
SCHEMBL22214493	0.85	MDK (0.41)	MAPK1MDKBDNFPTNCD69
SCHEMBL19852803	0.84	LGALS3 (0.45)	MAPK1MDKBDNFPTNCD69
SCHEMBL19892602	0.82	MAPK1 (0.45)	MAPK1MDKBDNFPTNCD69
SCHEMBL26479156	0.81	MDK (0.40)	MDKBDNFPTNCD69LGALS3
SCHEMBL20290392	0.80	LGALS3 (0.42)	MAPK1MDKBDNFPTNCD69
SCHEMBL18386460	0.80	LGALS3 (0.40)	MAPK1MDKBDNFPTNCD69
SCHEMBL19221227	0.80	LGALS3 (0.42)	MAPK1MDKBDNFPTNCD69
SCHEMBL26478783	0.80	BDNF (0.39)	MAPK1MDKBDNFPTNCD69

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-2022189517-A1	PACKAGING SOLUTIONS	BAUSCH + LOMB IRELAND LIMITED (IE)	2022-09-15	—	—	WO	disclosed