SCHEMBL779279

SCHEMBL779279

Cc1cccc(C(=O)c2c(C)cccc2P(=O)(O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
POLB P06746 2/20 0.46
PARP1 P09874 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
KCNK3 O14649 3/20 0.44
KCNK9 Q9NPC2 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 2/20 0.44
KCNH2 Q12809 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL779625 0.84 ALDH1A1 (0.48) HDAC6ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL28792396 0.83 KMT2A (0.42) MAPTSMN1; SMN2MEN1KMT2AHPGD
SCHEMBL29759522 0.83 KMT2A (0.42) MAPTSMN1; SMN2MEN1KMT2AHPGD
SCHEMBL777501 0.78 PTK2B (0.44) POLBALDH1A1MAPTSMN1; SMN2KCNK3
SCHEMBL778581 0.77 POLB (0.49) HDAC8HDAC6POLBPARP1ALDH1A1
SCHEMBL186545 0.75 PARP1 (0.68) HDAC8HDAC6POLBPARP1SMN1; SMN2
SCHEMBL29503529 0.75 PARP1 (0.68) HDAC8HDAC6POLBPARP1SMN1; SMN2
SCHEMBL781097 0.74 POLB (0.49) HDAC8HDAC6POLBPARP1ALDH1A1
SCHEMBL15264066 0.73 PARP1 (0.65) HDAC8HDAC6POLBPARP1SMN1; SMN2
SCHEMBL910686 0.73 POLB (0.47) HDAC8HDAC6POLBPARP1ALDH1A1

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