SCHEMBL1789857

SCHEMBL1789857

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 4/20 0.41
CTSA P10619 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
ACHE P22303 3/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
BCHE P06276 3/20 0.36
BACE1 P56817 1/20 0.36
PTPN5 P54829 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
POLB P06746 1/20 0.36
PIN1 Q13526 1/20 0.35
PGK1 P00558 1/20 0.34
PGK2 P07205 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
SCHEMBL1792178 0.81 NR1H4 (0.41) NR1H4PIN1PGK1PGK2
SCHEMBL31169490 0.80 ACP3 (0.55) ACP3POLBPIN1PGK1PGK2
SCHEMBL1955317 0.77 SRC (0.48) ACP3POLBPIN1PGK1PGK2
SCHEMBL1789783 0.77 HDAC8 (0.41) ACP3HDAC4HDAC2HDAC8ACHE
SCHEMBL20850559 0.74 ACP3 (0.44) ACP3HDAC4HDAC2HDAC8ACHE
SCHEMBL25926055 0.73 ACP3 (0.46) ACP3HDAC4HDAC2HDAC8ACHE
SCHEMBL28443399 0.73 CYP3A4 (0.49)
SCHEMBL25926064 0.72 PTPN5 (0.36) ACP3CTSAHDAC4HDAC2HDAC8
SCHEMBL29102629 0.72 CYP1A2 (0.49) CTSAHDAC4HDAC2HDAC8ACHE
Phosphoric Acid SCHEMBL21327914 0.71 HDAC8 (0.55) HDAC4HDAC2HDAC8ACHERXRA

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