SCHEMBL12674747

CC(C)(C)OC(=O)N1CC(c2ccccc2)N(C(=O)c2cccc(C(=O)N3CC(C4=CC=CCC4)N(C(=O)c4cccc(C(=O)N5CC(c6ccccc6)N(C(=O)c6cccc(C(=O)N7CC(c8ccccc8)N(C(=O)OC(C)(C)C)CC7c7ccccc7)n6)CC5c5ccccc5)n4)CC3c3ccccc3)n2)CC1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	NR1H2	P55055	8/20	0.42

▸	NR1H3	Q13133	6/20	0.42

▸	ROCK2	O75116	1/20	0.37

▸	ABHD6	Q9BV23	1/20	0.36

▸	HDAC6	Q9UBN7	3/20	0.34

▸	HDAC8	Q9BY41	2/20	0.34

▸	HDAC1	Q13547	1/20	0.34

▸	RORC	P51449	2/20	0.34

▸	UCHL1	P09936	1/20	0.33

▸	PARP1	P09874	1/20	0.33

▸	RXRA	P19793	2/20	0.33

▸	HTRA1	Q92743	1/20	0.33

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
SCHEMBL12668399	0.87	NR1H2 (0.49)	NR1H2NR1H3ROCK2ABHD6HDAC6
SCHEMBL12668400	0.78	NR1H2 (0.42)	NR1H2NR1H3ROCK2ABHD6HDAC6
SCHEMBL3188035	0.76	NR1H2 (0.56)	NR1H2NR1H3ROCK2ABHD6RORC
SCHEMBL3188043	0.76	NR1H2 (0.56)	NR1H2NR1H3ROCK2ABHD6RORC
SCHEMBL12668388	0.76	NR1H2 (0.56)	NR1H2NR1H3ROCK2ABHD6RORC
SCHEMBL12712926	0.72	NR1H2 (0.53)	NR1H2NR1H3ROCK2ABHD6RORC
SCHEMBL25326983	0.68	NR1H2 (0.48)	NR1H2NR1H3ROCK2ABHD6RORC
SCHEMBL12668394	0.68	NR1H2 (0.48)	NR1H2NR1H3ROCK2ABHD6RORC
SCHEMBL25326986	0.68	NR1H2 (0.48)	NR1H2NR1H3ROCK2ABHD6RORC
SCHEMBL4712983	0.67	NR1H2 (0.58)	NR1H2NR1H3ROCK2ABHD6HDAC6

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-20110121236-A1	COMPOSITION AND LIGHT-EMITTING ELEMENT USING THE COMPOSITION	SUMITOMO CHEMICAL COMPANY, LIMITED (JP)	2011-05-26	—	—	US	disclosed