SCHEMBL781097

SCHEMBL781097

Cc1cccc(C(=O)c2ccc(C)c(C(=O)c3cccc(C)c3)c2C(=O)P(=O)(O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PARP1 P09874 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KCNK3 O14649 2/20 0.40
KCNK9 Q9NPC2 2/20 0.40
KMT2A Q03164 2/20 0.40
KCNH2 Q12809 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 2/20 0.39
MITF O75030 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL11047948 0.77 HDAC8 (0.58) POLBHDAC8HDAC6PARP1SMN1; SMN2
SCHEMBL778581 0.75 POLB (0.49) POLBHDAC8HDAC6PARP1SMN1; SMN2
SCHEMBL21636267 0.74 POLB (0.62) POLBHDAC8HDAC6PARP1SMN1; SMN2
SCHEMBL779279 0.74 HDAC8 (0.47) POLBHDAC8HDAC6PARP1SMN1; SMN2
SCHEMBL779856 0.73 ALDH1A1 (0.48) HDAC6SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL29277724 0.71 POLB (0.63) POLBHDAC8HDAC6PARP1SMN1; SMN2
SCHEMBL29503529 0.71 PARP1 (0.68) POLBHDAC8HDAC6PARP1SMN1; SMN2
SCHEMBL186545 0.71 PARP1 (0.68) POLBHDAC8HDAC6PARP1SMN1; SMN2
SCHEMBL29530873 0.71 POLB (0.72) POLBHDAC8HDAC6PARP1SMN1; SMN2
SCHEMBL11612584 0.71 POLB (0.72) POLBHDAC8HDAC6PARP1SMN1; SMN2

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