SCHEMBL778700

SCHEMBL778700

Cc1ccccc1C(=O)S(=O)(O)(O)C(=O)c1ccccc1C

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.46
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
BCHE P06276 1/20 0.43
HTT P42858 1/20 0.43
CTNNB1 P35222 1/20 0.42
WNT3A P56704 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MYC P01106 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 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
SCHEMBL778216 0.85 HPGD (0.44) HPGDERCC5FEN1NPC1RAB9A
SCHEMBL780060 0.80 ERCC5 (0.43) HPGDERCC5FEN1NPC1RAB9A
SCHEMBL776603 0.80 HPGD (0.44) HPGDERCC5FEN1NPC1RAB9A
SCHEMBL1596859 0.75 HPGD (0.50) HPGDERCC5FEN1HTTSMN1; SMN2
SCHEMBL29425530 0.74 HPGD (0.54) HPGDERCC5FEN1HTTSMN1; SMN2
SCHEMBL29387256 0.74 CYP3A4 (0.55) HPGDERCC5FEN1BCHEHTT
SCHEMBL166603 0.74 HPGD (0.54) HPGDERCC5FEN1HTTSMN1; SMN2
SCHEMBL333141 0.74 CYP3A4 (0.55) HPGDERCC5FEN1BCHEHTT
SCHEMBL112406 0.72 HPGD (0.57) HPGDERCC5FEN1NPC1RAB9A
Toluic Acid SCHEMBL6571818 0.72 ALDH1A1 (0.65) HPGDERCC5FEN1SMN1; SMN2MYC

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