SCHEMBL1787675

SCHEMBL1787675

CC(OC(=O)OC(C)c1cccc(C(C)(C)C)c1)c1cccc(C(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.45
HDAC8 Q9BY41 4/20 0.42
HDAC4 P56524 2/20 0.42
HDAC2 Q92769 2/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
HCAR2 Q8TDS4 1/20 0.38
HDAC6 Q9UBN7 2/20 0.37
HDAC3 O15379 1/20 0.37
BCHE P06276 2/20 0.36
CTSA P10619 1/20 0.36
PTPN5 P54829 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
CES2 O00748 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NOTUM Q6P988 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
PLA2G1B P04054 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
SCHEMBL1787680 0.89 ACHE (0.44) ACHEHDAC8HDAC4HDAC2RXRA
SCHEMBL1788867 0.82 GABRA1 (0.40) ACHEHDAC8RXRARXRBHCAR2
SCHEMBL1788079 0.82 IDO1 (0.45) ACHEHDAC8HDAC4HDAC2RXRA
SCHEMBL1789495 0.82 ACHE (0.51) ACHEHDAC8HDAC4HDAC2RXRA
SCHEMBL1791203 0.81 TRPV1 (0.42) ACHERXRARXRBHCAR2TRPV1
SCHEMBL9245588 0.81 HDAC8 (0.42) ACHEHDAC8HDAC4HDAC2RXRA
SCHEMBL475371 0.80 HDAC4 (0.40) ACHEHDAC8HDAC4HDAC2RXRA
SCHEMBL1788537 0.80 ACHE (0.42) ACHEHDAC8HDAC4HDAC2RXRA
SCHEMBL1788416 0.79 NR1H4 (0.45) ALDH1A1TYRSMN1; SMN2
SCHEMBL8750571 0.79 HDAC4 (0.39) ACHEHDAC8HDAC4HDAC2RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2249426-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEM CORP (JP) 2019-07-10 EP disclosed
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-20140134481-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2014-05-15 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
EP-2249426-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY Mitsubishi Chemical Corporation (JP) 2010-11-10 EP disclosed