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SCHEMBL12668399

SCHEMBL12668399

CC(C)(C)OC(=O)N1CC(c2ccccc2)N(C(=O)c2cccc(C(=O)N3CC(c4ccccc4)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 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 7/20 0.49
▸ NR1H3 Q13133 6/20 0.49
▸ ROCK2 O75116 1/20 0.42
▸ RORC P51449 2/20 0.41
▸ RIPK1 Q13546 3/20 0.40
▸ ABHD6 Q9BV23 1/20 0.40
▸ RXRA P19793 2/20 0.39
▸ HTRA1 Q92743 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC8 Q9BY41 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL12668400 0.90 NR1H2 (0.42) NR1H2NR1H3ROCK2RORCRIPK1
SCHEMBL12674747 0.87 NR1H2 (0.42) NR1H2NR1H3ROCK2RORCABHD6
SCHEMBL3188043 0.87 NR1H2 (0.56) NR1H2NR1H3ROCK2RORCRIPK1
SCHEMBL3188035 0.87 NR1H2 (0.56) NR1H2NR1H3ROCK2RORCRIPK1
SCHEMBL12668388 0.87 NR1H2 (0.56) NR1H2NR1H3ROCK2RORCRIPK1
SCHEMBL12712926 0.83 NR1H2 (0.53) NR1H2NR1H3ROCK2RORCRIPK1
SCHEMBL25326983 0.78 NR1H2 (0.48) NR1H2NR1H3ROCK2RORCRIPK1
SCHEMBL12668394 0.78 NR1H2 (0.48) NR1H2NR1H3ROCK2RORCRIPK1
SCHEMBL25326986 0.78 NR1H2 (0.48) NR1H2NR1H3ROCK2RORCRIPK1
SCHEMBL25325447 0.77 RIPK1 (0.53) NR1H2NR1H3RORCRIPK1ABHD6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110121236-A1 COMPOSITION AND LIGHT-EMITTING ELEMENT USING THE COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-26 — — US disclosed
US-20110121236-A1 COMPOSITION AND LIGHT-EMITTING ELEMENT USING THE COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-26 — — US disclosed
EP-2309563-A1 COMPOSITION AND LIGHT-EMITTING ELEMENT USING THE COMPOSITION Sumitomo Chemical Company, Limited (JP) 2011-04-13 — — EP disclosed