SCHEMBL16800368

CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H]1[C@H](O[C@H]2C(O)[C@@H](NC(C)=O)[C@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]4C(O)[C@@H](NC(C)=O)C(C)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O

nearest known ligand 0.53

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK1	P28482	1/20	0.53

▸	TLR4	O00206	8/20	0.52

▸	LGALS8	O00214	1/20	0.49

▸	LGALS3	P17931	1/20	0.49

▸	LGALS4	P56470	1/20	0.49

▸	CHIA	Q9BZP6	1/20	0.46

▸	CD69	Q07108	1/20	0.44

▸	SELP	P16109	4/20	0.44

▸	ALDH1A1	P00352	1/20	0.43

▸	THRB	P10828	1/20	0.43

▸	LY96	Q9Y6Y9	3/20	0.43

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
SCHEMBL16433507	1.00	MAPK1 (0.53)	MAPK1TLR4LGALS8LGALS3LGALS4
SCHEMBL22098578	1.00	MAPK1 (0.53)	MAPK1TLR4LGALS8LGALS3LGALS4
SCHEMBL19220662	0.94	TLR4 (0.48)	MAPK1TLR4LGALS8LGALS3LGALS4
SCHEMBL19225396	0.93	MAPK1 (0.55)	MAPK1TLR4LGALS8LGALS3LGALS4
SCHEMBL19220671	0.92	MAPK1 (0.46)	MAPK1TLR4LGALS8LGALS3LGALS4
SCHEMBL16433509	0.92	MAPK1 (0.46)	MAPK1TLR4LGALS8LGALS3LGALS4
SCHEMBL16502193	0.92	MAPK1 (0.54)	MAPK1TLR4LGALS8LGALS3LGALS4
SCHEMBL20685510	0.92	MAPK1 (0.54)	MAPK1TLR4LGALS8LGALS3LGALS4
SCHEMBL22006236	0.92	MAPK1 (0.54)	MAPK1TLR4LGALS8LGALS3LGALS4
SCHEMBL18024461	0.92	MAPK1 (0.54)	MAPK1TLR4LGALS8LGALS3LGALS4

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
US-9414591-B2	Chitooligosaccharides and methods for use in enhancing corn growth	NOVOZYMES BIOAG A/S (DK)	2016-08-16	—	—	US	disclosed
US-9055747-B2	Chitooligosaccharides and methods for use in enhancing corn growth	NOVOZYMES BIOAG A/S (DK)	2015-06-16	—	—	US	disclosed