SCHEMBL778475

SCHEMBL778475

Cc1cccc(C(=O)c2ccccc2S(=O)(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.62
PARP1 P09874 1/20 0.46
KAT6A Q92794 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
CNR2 P34972 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
SCHEMBL778630 0.88 POLB (0.54) POLBPARP1KAT6ANPC1RAB9A
SCHEMBL11526754 0.83 POLB (0.47) POLBPARP1NPC1KMT2AALDH1A1
SCHEMBL777167 0.82 AKR1C3 (0.59) KMT2AALDH1A1LMNAMAPTHPGD
SCHEMBL300439 0.81 AKR1C3 (0.55) KMT2AALDH1A1LMNAMAPTNPSR1
Water SCHEMBL27666388 0.80 AKR1C3 (0.53) KMT2AALDH1A1LMNAMAPTNPSR1
SCHEMBL28340031 0.80 AKR1C3 (0.53) KMT2AALDH1A1LMNAMAPTNPSR1
SCHEMBL29496654 0.80 AKR1C3 (0.53) SMN1; SMN2KMT2AALDH1A1LMNAMAPT
SCHEMBL11033524 0.79 ALDH1A1 (0.52) POLBNPC1KMT2AALDH1A1LMNA
SCHEMBL29530873 0.78 POLB (0.72) POLBPARP1NPC1RAB9ASMN1; SMN2
SCHEMBL11612584 0.78 POLB (0.72) POLBPARP1NPC1RAB9ASMN1; SMN2

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