SCHEMBL778632

SCHEMBL778632

Cc1cccc(C(=O)c2cc(S(=O)(=O)O)ccc2C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.47
PARP1 P09874 1/20 0.44
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
CYP1A2 P05177 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTGS2 P35354 1/20 0.42
KAT6A Q92794 2/20 0.42
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
PABPC1 P11940 1/20 0.40
APOBEC3A P31941 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
SCHEMBL11526756 0.92 PTGS2 (0.45) POLBMAPK1KMT2AALDH1A1HPGD
SCHEMBL10112764 0.88 POLB (0.44) POLBALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL11033531 0.86 PTGS2 (0.55) KMT2AALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL11526913 0.84 ALDH1A1 (0.46) KMT2AALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL780499 0.83 ALDH1A1 (0.48) POLBKMT2AALDH1A1HPGDCYP1A2
SCHEMBL21636267 0.82 POLB (0.62) POLBMAPK1PARP1KMT2AHPGD
SCHEMBL10112765 0.80 MAPT (0.45) MAPK1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL776524 0.78 ALDH1A1 (0.44) KMT2AALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL11717599 0.77 POLB (0.55) POLBMAPK1PARP1KMT2AALDH1A1
SCHEMBL10112776 0.76 ALDH1A1 (0.40) MAPK1KMT2AALDH1A1HPGDCYP1A2

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