SCHEMBL778106

SCHEMBL778106

CCSC(=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
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KCNK3 O14649 2/20 0.46
KCNK9 Q9NPC2 2/20 0.46
KCNH2 Q12809 1/20 0.46
POLB P06746 1/20 0.45
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 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
Ditophal SCHEMBL2109565 0.88 NOS3 (0.46) HPGDTDP1HDAC8HDAC6SMN1; SMN2
SCHEMBL775938 0.82 HPGD (0.51) HPGDTDP1PARP1HDAC8HDAC6
SCHEMBL29128826 0.80 MAPT (0.50) HPGDTDP1PARP1HDAC8HDAC6
SCHEMBL779316 0.80 PARP1 (0.61) HPGDTDP1PARP1HDAC8HDAC6
SCHEMBL778234 0.80 PARP1 (0.61) HPGDTDP1PARP1HDAC8HDAC6
SCHEMBL14114091 0.80 ALDH1A1 (0.54) HDAC8HDAC6SMN1; SMN2MEN1KMT2A
SCHEMBL15215286 0.80 RAB9A (0.52) HPGDTDP1PARP1HDAC8HDAC6
SCHEMBL775679 0.79 PARP1 (0.59) HPGDTDP1PARP1HDAC8HDAC6
SCHEMBL5426377 0.79 PARP1 (0.59) HPGDTDP1PARP1HDAC8HDAC6
SCHEMBL15215287 0.78 HPGD (0.47) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115911573-A Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2023-04-04 CN disclosed
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