SCHEMBL777963

SCHEMBL777963

CCS(=O)(=O)C(=O)c1cccc(C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.54
TDP1 Q9NUW8 1/20 0.54
PARP1 P09874 1/20 0.53
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ATM Q13315 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KCNK3 O14649 1/20 0.46
KCNH2 Q12809 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
KAT6A Q92794 1/20 0.45
POLB P06746 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 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
SCHEMBL780025 0.82 PARP1 (0.59) HPGDTDP1PARP1HDAC8HDAC6
SCHEMBL778305 0.81 PARP1 (0.57) HPGDTDP1PARP1HDAC8HDAC6
SCHEMBL7451926 0.79 PARP1 (0.55) HPGDTDP1PARP1HDAC8HDAC6
SCHEMBL777972 0.79 KAT6A (0.57) HPGDTDP1PARP1HDAC8HDAC6
SCHEMBL777046 0.76 ALDH1A1 (0.50) HPGDTDP1HDAC6SMN1; SMN2ATM
SCHEMBL3629113 0.75 PARP1 (0.50) HPGDTDP1PARP1HDAC8HDAC6
SCHEMBL634002 0.75 HPGD (0.59) HPGDTDP1PARP1HDAC8HDAC6
SCHEMBL7984819 0.74 HDAC8 (0.64) HPGDTDP1HDAC8HDAC6TAS1R3
SCHEMBL7984817 0.74 HPGD (0.50) HPGDTDP1PARP1HDAC8HDAC6
SCHEMBL29503529 0.73 PARP1 (0.68) HPGDTDP1PARP1HDAC8HDAC6

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