SCHEMBL777402

SCHEMBL777402

CC=C(C(=O)c1cccc(C)c1)P(=O)(O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
PARP1 P09874 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
KCNK3 O14649 2/20 0.46
KCNK9 Q9NPC2 2/20 0.46
KCNH2 Q12809 1/20 0.46
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 3/20 0.43
TP53 P04637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42

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
SCHEMBL780735 0.79 CES2 (0.56) HDAC6SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL3753879 0.78 PARP1 (0.68) HDAC8HDAC6PARP1SMN1; SMN2MEN1
SCHEMBL3881636 0.77 HDAC8 (0.50) HDAC8HDAC6PARP1SMN1; SMN2MEN1
SCHEMBL11047948 0.77 HDAC8 (0.58) HDAC8HDAC6PARP1SMN1; SMN2MEN1
SCHEMBL777403 0.75 HDAC8 (0.49) HDAC8HDAC6PARP1SMN1; SMN2MEN1
SCHEMBL21135507 0.74 PARP1 (0.63) HDAC8HDAC6PARP1SMN1; SMN2MEN1
SCHEMBL777094 0.72 HDAC8 (0.53) HDAC8HDAC6PARP1SMN1; SMN2MEN1
SCHEMBL12287066 0.72 PARP1 (0.61) HDAC8HDAC6PARP1SMN1; SMN2MEN1
SCHEMBL29922789 0.72 PARP1 (0.61) HDAC8HDAC6PARP1SMN1; SMN2MEN1
SCHEMBL31529061 0.72 CES2 (0.65) HDAC8HDAC6PARP1SMN1; SMN2MEN1

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