SCHEMBL777403

SCHEMBL777403

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
PARP1 P09874 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HPGD P15428 2/20 0.45
KCNK3 O14649 2/20 0.45
KCNK9 Q9NPC2 2/20 0.45
KCNH2 Q12809 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ELANE P08246 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
TP53 P04637 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
SCHEMBL3881639 0.81 HDAC8 (0.49) HDAC8HDAC6PARP1SMN1; SMN2MEN1
SCHEMBL780020 0.80 HPGD (0.45) HDAC8HDAC6PARP1SMN1; SMN2MEN1
SCHEMBL780736 0.80 CES2 (0.54) HDAC6SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL3753879 0.76 PARP1 (0.68) HDAC8HDAC6PARP1SMN1; SMN2MEN1
SCHEMBL777402 0.75 HDAC8 (0.54) HDAC8HDAC6PARP1SMN1; SMN2MEN1
SCHEMBL12287066 0.75 PARP1 (0.61) HDAC8HDAC6PARP1SMN1; SMN2MEN1
SCHEMBL30889666 0.74 AKR1C3 (0.53) HDAC8HDAC6PARP1SMN1; SMN2MEN1
SCHEMBL11603276 0.73 PARP1 (0.59) HDAC8HDAC6PARP1SMN1; SMN2MEN1
SCHEMBL11047948 0.72 HDAC8 (0.58) HDAC8HDAC6PARP1SMN1; SMN2MEN1
SCHEMBL13209293 0.72 PARP1 (0.57) 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