SCHEMBL1789782

SCHEMBL1789782

CC(C)(C)c1cccc(C(OP(=O)(OC(c2cccc(C(C)(C)C)c2)c2cccc(C(C)(C)C)c2)OC(c2cccc(C(C)(C)C)c2)c2cccc(C(C)(C)C)c2)c2cccc(C(C)(C)C)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.40
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40
ACHE P22303 3/20 0.39
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
ACP3 P15309 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PLA2G1B P04054 1/20 0.36
NFKB1 P19838 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36

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
SCHEMBL1789783 0.87 HDAC8 (0.41) HDAC8HDAC4HDAC2ACHEIDO1
SCHEMBL1789996 0.78 NR1H4 (0.39) NPC1ALDH1A1RAB9AMAPK1
SCHEMBL1789853 0.77 HDAC8 (0.43) HDAC8HDAC4HDAC2ACHEL3MBTL1
SCHEMBL5084745 0.74 HDAC8 (0.42) HDAC8HDAC4HDAC2ACHEIDO1
SCHEMBL1788079 0.73 IDO1 (0.45) HDAC8HDAC4HDAC2ACHEIDO1
SCHEMBL25926055 0.72 ACP3 (0.46) HDAC8HDAC4HDAC2ACHEACP3
SCHEMBL1788081 0.72 IDO1 (0.44) HDAC8HDAC4HDAC2ACHEIDO1
SCHEMBL598661 0.71 KIF11 (0.49) HDAC8HDAC4HDAC2ACHEL3MBTL1
SCHEMBL2819699 0.71 SRC (0.44) IDO1TDO2ACP3L3MBTL1ALDH1A1
SCHEMBL348759 0.71 HDAC4 (0.40) HDAC8HDAC4HDAC2ACHEIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9083058-B2 Nonaqueous electrolytic solution and nonaqueous-electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2015-07-14 US disclosed
US-8916298-B2 Nonaqueous electrolytic solution and nonaqueous-electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2014-12-23 US disclosed
US-8889302-B2 Nonaqueous electrolytic solution and nonaqueous-electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2014-11-18 US disclosed
US-8846254-B2 2014-09-30 US disclosed
US-20120308883-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-12-06 US disclosed
US-20120219854-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 US disclosed
US-20110123871-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMCIAL (JP) 2011-05-26 US disclosed