SCHEMBL18979341

CC(C)(C)OC(=O)CN(CCN(CC(=O)OC(C)(C)C)Cc1cc(Br)cc(CN(CCN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)n1)CC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	NR1D1	P20393	5/20	0.35

▸	NR1H3	Q13133	1/20	0.33

▸	MTNR1A	P48039	2/20	0.33

▸	MTNR1B	P49286	2/20	0.33

▸	GSTO1	P78417	1/20	0.31

▸	SSTR4	P31391	1/20	0.31

▸	LCK	P06239	1/20	0.31

▸	AKT1	P31749	1/20	0.30

▸	PPARG	P37231	1/20	0.30

▸	CCR6	P51684	1/20	0.30

▸	TDP1	Q9NUW8	1/20	0.30

▸	NCOR2	Q9Y618	1/20	0.30

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
SCHEMBL17200937	1.00	NR1D1 (0.35)	NR1D1NR1H3MTNR1AMTNR1BGSTO1
SCHEMBL5007664	0.94	NR1D1 (0.36)	NR1D1NR1H3MTNR1AMTNR1BGSTO1
SCHEMBL26885902	0.88	NR1D1 (0.33)	NR1D1NR1H3MTNR1AMTNR1BGSTO1
SCHEMBL6027858	0.86	NR1D1 (0.34)	NR1D1NR1H3MTNR1AMTNR1BLCK
SCHEMBL3477183	0.81	NR1D1 (0.34)	NR1D1NR1H3AKT1
SCHEMBL9356026	0.80	NR1D1 (0.36)	NR1D1NR1H3GSTO1AKT1
SCHEMBL10367811	0.80	NR1D1 (0.36)	NR1D1NR1H3MTNR1AMTNR1BGSTO1
SCHEMBL17200916	0.78	ACACB (0.35)	NR1D1NR1H3
SCHEMBL15618181	0.78	ACACB (0.35)	NR1D1NR1H3
SCHEMBL18674519	0.78	NR1D1 (0.32)	NR1D1NR1H3

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
EP-2897967-B1	CHELATES, CHELATING AGENTS, CONJUGATES DERIVED THEREOF AND THEIR USE	WANG QI (FI)	2017-06-21	—	—	EP	disclosed