SCHEMBL19820097

CCCCCCCCCCNC(=O)C(CCCCNC(=O)COCCOCCOCCO[C@@H]1O[C@H](CCO)[C@H](O)[C@H](O)[C@H]1NC(C)=O)NC(=O)C(CCCCNC(=O)COCCOCCOCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O)NC(=O)COCCOCCOCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK1	P28482	1/20	0.52

▸	GLP1R	P43220	8/20	0.45

▸	ESR1	P03372	1/20	0.44

▸	PGR	P06401	1/20	0.44

▸	HTR1A	P08908	1/20	0.44

▸	ADORA3	P0DMS8	1/20	0.44

▸	AR	P10275	1/20	0.44

▸	CHRM1	P11229	1/20	0.44

▸	TBXA2R	P21731	1/20	0.44

▸	PTGS1	P23219	1/20	0.44

▸	ADRA1A	P35348	1/20	0.44

▸	KCNH2	Q12809	1/20	0.44

▸	EPHX2	P34913	1/20	0.40

▸	SELL	P14151	3/20	0.39

▸	SELP	P16109	3/20	0.39

▸	SELE	P16581	3/20	0.39

▸	ANPEP	P15144	2/20	0.38

▸	MEN1	O00255	1/20	0.38

▸	KMT2A	Q03164	1/20	0.38

▸	ALDH1A1	P00352	1/20	0.38

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
SCHEMBL21016684	1.00	MAPK1 (0.52)	MAPK1GLP1RESR1PGRHTR1A
SCHEMBL25775135	0.96	MAPK1 (0.56)	MAPK1GLP1RESR1PGRHTR1A
SCHEMBL17519197	0.96	MAPK1 (0.56)	MAPK1GLP1RESR1PGRHTR1A
SCHEMBL19820023	0.96	MAPK1 (0.56)	MAPK1GLP1RESR1PGRHTR1A
SCHEMBL15711575	0.94	GLP1R (0.53)	MAPK1GLP1RESR1PGRHTR1A
SCHEMBL17519200	0.94	GLP1R (0.53)	MAPK1GLP1RESR1PGRHTR1A
SCHEMBL15702040	0.94	GLP1R (0.53)	MAPK1GLP1RESR1PGRHTR1A
SCHEMBL22639112	0.94	MAPK1 (0.46)	MAPK1GLP1RESR1PGRHTR1A
SCHEMBL19682828	0.93	MAPK1 (0.45)	MAPK1GLP1RESR1PGRHTR1A
SCHEMBL21226821	0.93	MAPK1 (0.45)	MAPK1GLP1RESR1PGRHTR1A

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-9879265-B2	Oligonucleotide conjugates	ROCHE INNOVATION CENTER COPENHAGEN A/S (DK)	2018-01-30	—	—	US	disclosed