SCHEMBL1789498

SCHEMBL1789498

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.50
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
ACP3 P15309 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40
BCHE P06276 4/20 0.38
CTSA P10619 1/20 0.38
CES2 O00748 1/20 0.37
NOTUM Q6P988 1/20 0.37
HDAC3 O15379 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
BACE1 P56817 2/20 0.35
FFAR1 O14842 1/20 0.35
PGK1 P00558 1/20 0.35
PGK2 P07205 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
SCHEMBL1789495 0.89 ACHE (0.51) ACHERXRARXRBACP3HDAC8
SCHEMBL1789567 0.83 RXRB (0.39) ACHERXRARXRB
SCHEMBL1787680 0.83 ACHE (0.44) ACHERXRARXRBHDAC8HDAC4
SCHEMBL1788081 0.81 IDO1 (0.44) ACHERXRARXRBHDAC8HDAC4
SCHEMBL1789916 0.80 NR1H4 (0.43) ACHEFFAR1
SCHEMBL1790839 0.78 AKR1C3 (0.33) ACHERXRARXRBCTSACES2
SCHEMBL1788079 0.76 IDO1 (0.45) ACHERXRARXRBHDAC8HDAC4
SCHEMBL1786834 0.76 AKR1C3 (0.36) ACHERXRARXRB
SCHEMBL28387238 0.75 CYP2D6 (0.44) HDAC8HDAC4HDAC2CES2HDAC3
SCHEMBL1787675 0.74 ACHE (0.45) ACHERXRARXRBHDAC8HDAC4

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