SCHEMBL776897

SCHEMBL776897

CCS(=O)(O)(O)C(=O)c1cccc(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
PARP1 P09874 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KCNK3 O14649 1/20 0.44
KCNH2 Q12809 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
POLB P06746 1/20 0.42
GPR52 Q9Y2T5 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 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
SCHEMBL779994 0.82 PARP1 (0.57) HPGDTDP1PARP1HDAC8HDAC6
SCHEMBL777090 0.80 PARP1 (0.55) HPGDTDP1PARP1HDAC8HDAC6
SCHEMBL777372 0.80 ALDH1A1 (0.48) HPGDTDP1HDAC6SMN1; SMN2MEN1
SCHEMBL775480 0.76 SMN1; SMN2 (0.53) HPGDTDP1PARP1HDAC8HDAC6
SCHEMBL548920 0.73 PARP1 (0.65) HPGDTDP1PARP1HDAC8HDAC6
SCHEMBL634002 0.72 HPGD (0.59) HPGDTDP1PARP1TAS1R3TAS1R1
SCHEMBL3753879 0.71 PARP1 (0.68) HPGDTDP1PARP1HDAC8HDAC6
SCHEMBL29503529 0.71 PARP1 (0.68) HPGDTDP1PARP1HDAC8HDAC6
SCHEMBL186545 0.71 PARP1 (0.68) HPGDTDP1PARP1HDAC8HDAC6
SCHEMBL31167604 0.70 GPR52 (0.61) HPGDTDP1PARP1HDAC8HDAC6

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