SCHEMBL16311693

CC(=O)NC1[C@@H](OC(C)[C@H](N)C(=O)NC(C(=O)N2CCC[C@H]2C(=O)NC(C)C(=O)N[C@@H](C)C(=O)NC(C(=O)N[C@H](C(=O)NC(C)C(=O)N[C@H](C(=O)O)C(C)C)C(C)C)C(C)C)C(C)C)OC(CO)[C@H](O)[C@@H]1O[C@@H]1OC(CO)[C@H](O)C(O)[C@@H]1O

nearest known ligand 0.49

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	MAG	P20916	4/20	0.41

▸	ALDH1A1	P00352	1/20	0.36

▸	THRB	P10828	1/20	0.36

▸	NOD2	Q9HC29	1/20	0.36

▸	XIAP	P98170	2/20	0.36

▸	MLX	Q9UH92	1/20	0.36

▸	CALCRL	Q16602	1/20	0.36

▸	IGF2R	P11717	1/20	0.35

▸	LGALS8	O00214	1/20	0.35

▸	LGALS3	P17931	1/20	0.35

▸	LGALS4	P56470	1/20	0.35

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
SCHEMBL16311685	1.00	MAG (0.41)	MAGALDH1A1THRBNOD2XIAP
SCHEMBL16311706	0.97	MAG (0.41)	MAGALDH1A1THRBNOD2XIAP
SCHEMBL16311687	0.97	MAG (0.41)	MAGALDH1A1THRBNOD2XIAP
SCHEMBL2632655	0.97	MAG (0.41)	MAGALDH1A1THRBNOD2XIAP
SCHEMBL16311637	0.97	MAG (0.41)	MAGALDH1A1THRBNOD2XIAP
SCHEMBL16311640	0.97	MAG (0.41)	MAGALDH1A1THRBNOD2XIAP
SCHEMBL16311691	0.96	MAG (0.41)	MAGALDH1A1THRBNOD2XIAP
SCHEMBL16311642	0.96	MAG (0.40)	MAGALDH1A1THRBNOD2XIAP
SCHEMBL16311668	0.96	MAG (0.39)	MAGALDH1A1THRBNOD2CALCRL
SCHEMBL2632483	0.94	MAG (0.38)	MAGALDH1A1THRBNOD2XIAP

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-8912146-B2	Derivatives of APF and methods of use	UNIVERSITY OF MARYLAND, BALTIMORE (US)	2014-12-16	—	—	US	disclosed