SCHEMBL1789853

SCHEMBL1789853

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.43
HDAC4 P56524 1/20 0.43
HDAC2 Q92769 1/20 0.43
ACHE P22303 3/20 0.40
KIF11 P52732 1/20 0.38
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
HDAC6 Q9UBN7 2/20 0.37
HDAC3 O15379 1/20 0.37
PGK1 P00558 2/20 0.37
PGK2 P07205 2/20 0.37
PTPN1 P18031 1/20 0.36
SOD1 P00441 1/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PLA2G1B P04054 1/20 0.35
NFKB1 P19838 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35

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
SCHEMBL1789856 0.85 HDAC8 (0.44) HDAC8HDAC4HDAC2ACHEKIF11
SCHEMBL3138872 0.79 MAPK1 (0.44) HDAC8HDAC4HDAC2HDAC6HDAC3
SCHEMBL1792175 0.79 TSHR (0.42) KIF11NPC1ALDH1A1RAB9A
Phosphoric Acid SCHEMBL6285652 0.77 HDAC8 (0.55) HDAC8HDAC4HDAC2ACHEKIF11
Phosphoric Acid SCHEMBL29023601 0.77 HDAC8 (0.55) HDAC8HDAC4HDAC2ACHEKIF11
Phosphoric Acid SCHEMBL21327914 0.77 HDAC8 (0.55) HDAC8HDAC4HDAC2ACHEKIF11
Phosphoric Acid SCHEMBL28929945 0.77 HDAC8 (0.55) HDAC8HDAC4HDAC2ACHEKIF11
SCHEMBL1789782 0.77 HDAC8 (0.40) HDAC8HDAC4HDAC2ACHEKIF11
SCHEMBL129151 0.76 HDAC8 (0.56) HDAC8HDAC4HDAC2ACHEKIF11
Phosphoric Acid SCHEMBL28954909 0.75 HDAC8 (0.48) HDAC8HDAC4HDAC2ACHEKIF11

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