SCHEMBL778580

SCHEMBL778580

Cc1cccc(C(=O)OP(=O)(C(=O)c2cccc(C)c2)C(=O)c2cccc(C)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
PARP1 P09874 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
GAA P10253 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 6/20 0.46
MEN1 O00255 4/20 0.46
KCNK3 O14649 2/20 0.46
KCNK9 Q9NPC2 2/20 0.46
KCNH2 Q12809 1/20 0.46
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GPR17 Q13304 1/20 0.46
ESR1 P03372 2/20 0.46
POLB P06746 2/20 0.46

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
SCHEMBL781096 0.87 HDAC8 (0.50) HDAC8HDAC6PARP1SMN1; SMN2MAPT
SCHEMBL777386 0.83 HDAC8 (0.53) HDAC8HDAC6PARP1SMN1; SMN2GAA
SCHEMBL779854 0.79 HPGD (0.53) HDAC8HDAC6PARP1SMN1; SMN2MAPT
SCHEMBL779725 0.78 HDAC8 (0.60) HDAC8HDAC6PARP1SMN1; SMN2MAPT
SCHEMBL778171 0.77 HDAC8 (0.58) HDAC8HDAC6PARP1SMN1; SMN2MAPT
SCHEMBL11047948 0.77 HDAC8 (0.58) HDAC8HDAC6PARP1SMN1; SMN2MAPT
SCHEMBL44313 0.76 PARP1 (0.61) HDAC8HDAC6PARP1SMN1; SMN2MAPT
SCHEMBL4188727 0.76 PARP1 (0.61) HDAC8HDAC6PARP1SMN1; SMN2MAPT
SCHEMBL29397067 0.76 PARP1 (0.61) HDAC8HDAC6PARP1SMN1; SMN2MAPT
SCHEMBL31316346 0.76 PARP1 (0.61) HDAC8HDAC6PARP1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9343777-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-05-17 US disclosed
US-9252457-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 US disclosed
US-20120177988-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-07-12 US disclosed
US-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 US disclosed