SCHEMBL778630

SCHEMBL778630

Cc1cccc(C(=O)c2cc(C)ccc2S(=O)(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
PARP1 P09874 1/20 0.46
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
KCNK3 O14649 1/20 0.41
KCNH2 Q12809 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
MEN1 O00255 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KAT6A Q92794 1/20 0.40

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
SCHEMBL11526754 0.95 POLB (0.47) POLBHDAC8HDAC6PARP1KMT2A
SCHEMBL11033524 0.89 ALDH1A1 (0.52) POLBKMT2AALDH1A1MAPTLMNA
SCHEMBL778475 0.88 POLB (0.62) POLBHDAC8HDAC6PARP1KMT2A
SCHEMBL11526907 0.87 MAPT (0.49) KMT2AALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL780497 0.85 ALDH1A1 (0.50) HDAC6KMT2AALDH1A1MAPTLMNA
Water SCHEMBL11263305 0.83 CSNK2A1 (0.41) POLBKMT2AALDH1A1MAPTLMNA
SCHEMBL21636267 0.78 POLB (0.62) POLBHDAC8HDAC6PARP1KMT2A
SCHEMBL776522 0.78 ALDH1A1 (0.45) KMT2AALDH1A1HPGDMEN1
SCHEMBL6056827 0.76 CSNK2A1 (0.55) POLBKMT2AALDH1A1HPGDMEN1
SCHEMBL10972512 0.76 CSNK2A1 (0.41) POLBKMT2AALDH1A1MAPTLMNA

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