SCHEMBL776799

SCHEMBL776799

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
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 1/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A3 Q01959 2/20 0.46
ATM Q13315 1/20 0.46
CHRNA1 P02708 1/20 0.46
CHRNG P07510 1/20 0.46
CHRNB1 P11230 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
CHRND Q07001 1/20 0.46
MEN1 O00255 3/20 0.45

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
SCHEMBL776244 0.86 SLC6A2 (0.48) HPGDTDP1HDAC8HDAC6PARP1
SCHEMBL777094 0.81 HDAC8 (0.53) HPGDTDP1HDAC8HDAC6PARP1
SCHEMBL780713 0.80 HDAC8 (0.51) HPGDTDP1HDAC8HDAC6PARP1
SCHEMBL777020 0.80 GSK3B (0.46) HPGDTDP1HDAC6SMN1; SMN2SLC6A2
SCHEMBL2295946 0.77 TDP1 (0.51) HPGDTDP1HDAC8HDAC6PARP1
SCHEMBL777605 0.76 TAS1R3 (0.46) HPGDTDP1HDAC8HDAC6PARP1
SCHEMBL1024675 0.73 TDP1 (0.51) HPGDTDP1HDAC8HDAC6PARP1
SCHEMBL25247146 0.73 PARP1 (0.59) HPGDTDP1HDAC8HDAC6PARP1
SCHEMBL29923066 0.73 PARP1 (0.59) HPGDTDP1HDAC8HDAC6PARP1
SCHEMBL585998 0.73 PARP1 (0.59) HPGDTDP1HDAC8HDAC6PARP1

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