SCHEMBL779854

SCHEMBL779854

CCOP(=O)(C(=O)c1cccc(C)c1)C(=O)c1cccc(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
PARP1 P09874 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
KCNK3 O14649 2/20 0.45
KCNK9 Q9NPC2 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KCNH2 Q12809 1/20 0.45
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
GAA P10253 1/20 0.44
GRM5 P41594 1/20 0.43

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
SCHEMBL11397508 0.87 HPGD (0.53) HPGDTDP1HDAC8HDAC6PARP1
SCHEMBL777386 0.81 HDAC8 (0.53) HPGDTDP1HDAC8HDAC6PARP1
SCHEMBL779323 0.80 ALDH1A1 (0.51) TDP1HDAC6SMN1; SMN2MEN1KMT2A
SCHEMBL778580 0.79 HDAC8 (0.50) HPGDTDP1HDAC8HDAC6PARP1
SCHEMBL779725 0.77 HDAC8 (0.60) HPGDTDP1HDAC8HDAC6PARP1
SCHEMBL777606 0.77 HPGD (0.56) HPGDTDP1HDAC8HDAC6PARP1
SCHEMBL9251623 0.76 NR1I2 (0.45) HPGDTDP1HDAC8HDAC6SMN1; SMN2
SCHEMBL778171 0.75 HDAC8 (0.58) HPGDTDP1HDAC8HDAC6PARP1
SCHEMBL11047948 0.75 HDAC8 (0.58) HPGDTDP1HDAC8HDAC6PARP1
SCHEMBL29360475 0.74 TDP1 (0.60) HPGDTDP1PARP1KMT2ARAB9A

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