SCHEMBL776243

SCHEMBL776243

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
PARP1 P09874 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.45
TDP2 O95551 1/20 0.45
ALDH1A1 P00352 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CTNNB1 P35222 2/20 0.44
WNT3A P56704 2/20 0.44
KCNK3 O14649 1/20 0.44
KCNH2 Q12809 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44

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
SCHEMBL777604 0.82 CTNNB1 (0.47) ATMHPGDTDP1HDAC8HDAC6
SCHEMBL12960171 0.82 PARP1 (0.53) ATMHPGDTDP1HDAC8HDAC6
SCHEMBL8812764 0.80 CTNNB1 (0.53) ATMHPGDTDP1HDAC8HDAC6
SCHEMBL777226 0.80 GSK3B (0.48) ATMHPGDHDAC8HDAC6MEN1
SCHEMBL28554899 0.78 PARP1 (0.53) ATMHPGDTDP1HDAC8HDAC6
SCHEMBL19984837 0.76 MEN1 (0.51) ATMHPGDTDP1HDAC8HDAC6
SCHEMBL780713 0.76 HDAC8 (0.51) ATMHPGDTDP1HDAC8HDAC6
SCHEMBL776244 0.75 SLC6A2 (0.48) ATMHPGDTDP1HDAC8HDAC6
SCHEMBL29456641 0.74 MEN1 (0.64) HPGDTDP1HDAC8HDAC6PARP1
SCHEMBL29062364 0.74 CTNNB1 (0.70) HPGDTDP1HDAC8HDAC6PARP1

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