SCHEMBL777167

SCHEMBL777167

Cc1ccc(C(=O)c2ccccc2S(=O)(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.59
ALDH1A1 P00352 6/20 0.50
LMNA P02545 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 4/20 0.44
KMT2A Q03164 4/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
HSP90AA1 P07900 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SRD5A2 P31213 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
CYP1A2 P05177 1/20 0.44
HSD17B10 Q99714 1/20 0.44
STS P08842 1/20 0.42
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL300439 0.85 AKR1C3 (0.55) AKR1C3ALDH1A1LMNATDP1MAPT
SCHEMBL29496654 0.84 AKR1C3 (0.53) AKR1C3ALDH1A1LMNATDP1MAPT
Water SCHEMBL27666388 0.84 AKR1C3 (0.53) AKR1C3ALDH1A1LMNATDP1MAPT
SCHEMBL28340031 0.84 AKR1C3 (0.53) AKR1C3ALDH1A1LMNATDP1MAPT
SCHEMBL7790459 0.83 ALDH1A1 (0.50) AKR1C3ALDH1A1LMNATDP1MAPT
SCHEMBL780497 0.83 ALDH1A1 (0.50) AKR1C3ALDH1A1LMNAMAPTKMT2A
SCHEMBL778475 0.82 POLB (0.62) ALDH1A1LMNAMAPTKMT2AHPGD
Ammonia Solution, Strong SCHEMBL11460421 0.81 NR4A1 (0.57) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL11189754 0.81 AKR1C3 (0.84) AKR1C3ALDH1A1LMNATDP1MAPT
SCHEMBL1161086 0.81 CA1 (0.44) ALDH1A1LMNAMAPTKMT2AGAA

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