SCHEMBL777094

SCHEMBL777094

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
PARP1 P09874 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
CHRNA1 P02708 1/20 0.49
CHRNG P07510 1/20 0.49
CHRNB1 P11230 1/20 0.49
CHRNB2 P17787 1/20 0.49
SLC6A2 P23975 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA4 P43681 1/20 0.49
SLC6A3 Q01959 1/20 0.49
CHRND Q07001 1/20 0.49
KCNK3 O14649 3/20 0.49
KCNK9 Q9NPC2 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KCNH2 Q12809 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL780713 0.84 HDAC8 (0.51) HDAC8HDAC6PARP1SMN1; SMN2CHRNA1
SCHEMBL776799 0.81 HPGD (0.49) HDAC8HDAC6PARP1SMN1; SMN2CHRNA1
SCHEMBL776244 0.80 SLC6A2 (0.48) HDAC8HDAC6PARP1SMN1; SMN2CHRNA1
SCHEMBL25247146 0.77 PARP1 (0.59) HDAC8HDAC6PARP1SMN1; SMN2CHRNA1
SCHEMBL585998 0.77 PARP1 (0.59) HDAC8HDAC6PARP1SMN1; SMN2CHRNA1
SCHEMBL29923066 0.77 PARP1 (0.59) HDAC8HDAC6PARP1SMN1; SMN2CHRNA1
SCHEMBL777503 0.77 ALDH1A1 (0.48) HDAC6SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL777605 0.77 TAS1R3 (0.46) HDAC8HDAC6PARP1SMN1; SMN2CHRNA1
SCHEMBL8507979 0.76 PARP1 (0.57) HDAC8HDAC6PARP1SMN1; SMN2CHRNA1
SCHEMBL1305879 0.76 SLC6A2 (0.57) HDAC8HDAC6PARP1SMN1; SMN2CHRNA1

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