SCHEMBL776798

SCHEMBL776798

Cc1cccc(C(=O)C(C)(C(=O)c2cccc(C)c2)P(=O)(O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
PARP1 P09874 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
CYP2C19 P33261 1/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
KCNK3 O14649 3/20 0.49
KCNK9 Q9NPC2 2/20 0.49
KCNH2 Q12809 1/20 0.49
HPGD P15428 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NT5E P21589 1/20 0.47
ABCB1 P08183 1/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.45
TP53 P04637 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL780019 0.81 KCNK3 (0.45) HDAC8HDAC6PARP1SMN1; SMN2CYP2C19
SCHEMBL855152 0.81 PARP1 (0.59) HDAC8HDAC6PARP1SMN1; SMN2CYP2C19
SCHEMBL29429340 0.79 PARP1 (0.57) HDAC8HDAC6PARP1SMN1; SMN2CYP2C19
SCHEMBL11065475 0.79 PARP1 (0.57) HDAC8HDAC6PARP1SMN1; SMN2CYP2C19
SCHEMBL16449231 0.78 PARP1 (0.55) HDAC8HDAC6PARP1SMN1; SMN2CYP2C19
SCHEMBL12164013 0.78 PARP1 (0.60) HDAC8HDAC6PARP1SMN1; SMN2CYP2C19
SCHEMBL777019 0.77 CA2 (0.50) HDAC6SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL312610 0.76 ACHE (0.62) HDAC8HDAC6PARP1SMN1; SMN2MEN1
SCHEMBL11047948 0.76 HDAC8 (0.58) HDAC8HDAC6PARP1SMN1; SMN2MEN1
SCHEMBL4434400 0.74 PARP1 (0.55) HDAC8HDAC6PARP1SMN1; SMN2CYP2C19

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