SCHEMBL778171

SCHEMBL778171

Cc1cccc(C(=O)P(C)(C)=O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
PARP1 P09874 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
KCNK3 O14649 2/20 0.53
KCNK9 Q9NPC2 2/20 0.53
KCNH2 Q12809 1/20 0.53
HPGD P15428 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 3/20 0.49
TP53 P04637 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
MAPT P10636 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
NT5E P21589 1/20 0.47

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
SCHEMBL779725 0.86 HDAC8 (0.60) HDAC8HDAC6PARP1SMN1; SMN2MEN1
SCHEMBL11047948 0.84 HDAC8 (0.58) HDAC8HDAC6PARP1SMN1; SMN2MEN1
SCHEMBL777606 0.82 HPGD (0.56) HDAC8HDAC6PARP1SMN1; SMN2MEN1
SCHEMBL777386 0.79 HDAC8 (0.53) HDAC8HDAC6PARP1SMN1; SMN2MEN1
SCHEMBL781096 0.77 HDAC8 (0.50) HDAC8HDAC6PARP1SMN1; SMN2MEN1
SCHEMBL778580 0.77 HDAC8 (0.50) HDAC8HDAC6PARP1SMN1; SMN2MEN1
SCHEMBL29503529 0.76 PARP1 (0.68) HDAC8HDAC6PARP1SMN1; SMN2MEN1
SCHEMBL186545 0.76 PARP1 (0.68) HDAC8HDAC6PARP1SMN1; SMN2MEN1
SCHEMBL3753879 0.76 PARP1 (0.68) HDAC8HDAC6PARP1SMN1; SMN2MEN1
SCHEMBL8396799 0.76 ALDH1A1 (0.55) HDAC8HDAC6PARP1MEN1KMT2A

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