SCHEMBL778194

SCHEMBL778194

Cc1ccc(C(=O)CCS(=O)(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.59
PAX8 Q06710 2/20 0.59
GSK3B P49841 1/20 0.52
HSD11B1 P28845 2/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 2/20 0.48
CTNNB1 P35222 3/20 0.47
WNT3A P56704 3/20 0.47
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
RECQL P46063 1/20 0.45
MAPT P10636 1/20 0.44
POLB P06746 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
SCHEMBL16552778 0.81 KMT2A (0.83) KMT2APAX8GSK3BNPC1RAB9A
SCHEMBL27445770 0.80 HSD11B1 (0.67) KMT2AGSK3BHSD11B1NPC1RAB9A
SCHEMBL775763 0.80 HSD11B1 (0.61) KMT2APAX8GSK3BHSD11B1NPC1
SCHEMBL777286 0.79 CTNNB1 (0.54) KMT2APAX8HSD11B1MEN1CTNNB1
SCHEMBL10424361 0.78 HSD11B1 (0.65) KMT2AGSK3BHSD11B1NPC1RAB9A
SCHEMBL9419411 0.77 KMT2A (0.69) KMT2AGSK3BNPC1RAB9AMEN1
SCHEMBL25128778 0.76 KMT2A (0.76) KMT2APAX8HSD11B1LMNAALDH1A1
SCHEMBL1951415 0.76 KMT2A (0.76) KMT2APAX8HSD11B1LMNAALDH1A1
SCHEMBL10854341 0.75 KMT2A (0.67) KMT2APAX8GSK3BNPC1RAB9A
SCHEMBL507742 0.75 HSD17B3 (0.69) KMT2AGSK3BNPC1RAB9AMEN1

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