SCHEMBL16311668

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(=O)N[C@@H](C)C(N)=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 0.50

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	MAG	P20916	4/20	0.39

▸	NOD2	Q9HC29	1/20	0.37

▸	IGF2R	P11717	2/20	0.37

▸	CALCRL	Q16602	2/20	0.36

▸	ALDH1A1	P00352	1/20	0.36

▸	THRB	P10828	1/20	0.36

▸	OPRM1	P35372	1/20	0.35

▸	OPRD1	P41143	1/20	0.35

▸	OPRK1	P41145	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
SCHEMBL16311693	0.96	MAG (0.41)	MAGNOD2IGF2RCALCRLALDH1A1
SCHEMBL2632655	0.96	MAG (0.41)	MAGNOD2IGF2RCALCRLALDH1A1
SCHEMBL16311685	0.96	MAG (0.41)	MAGNOD2IGF2RCALCRLALDH1A1
SCHEMBL16311640	0.96	MAG (0.41)	MAGNOD2IGF2RCALCRLALDH1A1
SCHEMBL16311706	0.96	MAG (0.41)	MAGNOD2IGF2RCALCRLALDH1A1
SCHEMBL16311637	0.96	MAG (0.41)	MAGNOD2IGF2RCALCRLALDH1A1
SCHEMBL16311687	0.96	MAG (0.41)	MAGNOD2IGF2RCALCRLALDH1A1
SCHEMBL16311691	0.94	MAG (0.41)	MAGNOD2ALDH1A1THRBOPRM1
SCHEMBL2632483	0.94	MAG (0.38)	MAGNOD2IGF2RCALCRLALDH1A1
SCHEMBL16311642	0.94	MAG (0.40)	MAGNOD2IGF2RCALCRLALDH1A1

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