SCHEMBL1789856

SCHEMBL1789856

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.44
HDAC4 P56524 1/20 0.44
HDAC2 Q92769 1/20 0.44
PGK1 P00558 3/20 0.43
PGK2 P07205 3/20 0.43
ACHE P22303 3/20 0.41
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC3 O15379 1/20 0.39
PTPRC P08575 1/20 0.36
KIF11 P52732 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
PTPN1 P18031 1/20 0.35
P2RX1 P51575 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
PTPN5 P54829 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL1789853 0.85 HDAC8 (0.43) HDAC8HDAC4HDAC2PGK1PGK2
Phosphoric Acid SCHEMBL21327914 0.82 HDAC8 (0.55) HDAC8HDAC4HDAC2PGK1PGK2
Phosphoric Acid SCHEMBL6285652 0.82 HDAC8 (0.55) HDAC8HDAC4HDAC2PGK1PGK2
Phosphoric Acid SCHEMBL29023601 0.82 HDAC8 (0.55) HDAC8HDAC4HDAC2PGK1PGK2
Phosphoric Acid SCHEMBL28929945 0.82 HDAC8 (0.55) HDAC8HDAC4HDAC2PGK1PGK2
SCHEMBL1955319 0.81 PTPN1 (0.47) HDAC8HDAC4HDAC2PGK1PGK2
SCHEMBL1792177 0.81 HDAC1 (0.44) HDAC8HDAC6HDAC3ALDH1A1TDP1
SCHEMBL4381038 0.79 PBRM1 (0.40) PGK1PGK2PTPN1PTPN5ALDH1A1
SCHEMBL28718804 0.79 PGK1 (0.55) HDAC8HDAC4HDAC2PGK1PGK2
SCHEMBL28674254 0.79 PGK1 (0.55) HDAC8HDAC4HDAC2PGK1PGK2

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