SCHEMBL776891

SCHEMBL776891

Cc1ccc(C(=O)OS(=O)Oc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
USP2 O75604 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.41
MAPK14 Q16539 1/20 0.40
AKR1C3 P42330 1/20 0.40
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 3/20 0.39
TSHR P16473 1/20 0.39
S100A4 P26447 1/20 0.38

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
SCHEMBL775479 0.83 SMN1; SMN2 (0.46) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL776722 0.82 TDP1 (0.59) RAB9ANPC1CES2CES1TDP1
SCHEMBL1335801 0.79 ELANE (0.54) RAB9ANPC1CES2CES1KMT2A
SCHEMBL3884014 0.79 HTT (0.48) CES2CES1KMT2AMEN1NPSR1
SCHEMBL778250 0.78 TDP1 (0.59) RAB9ANPC1CES2CES1TDP1
SCHEMBL776602 0.77 NPC1 (0.44) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL104409 0.75 PARP10 (0.59) RAB9ANPC1CES2CES1TDP1
SCHEMBL11584711 0.74 PARP10 (0.62) RAB9ANPC1CES2CES1TDP1
SCHEMBL777371 0.73 TDP1 (0.48) RAB9ANPC1CES2CES1TDP1
SCHEMBL28928747 0.72 HTT (0.42) RAB9ANPC1CES2CES1USP2

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