SCHEMBL10180394

SCHEMBL10180394

C=CCS(=O)(=O)c1ccccc1CC(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
SLC6A2 P23975 1/20 0.35
CA2 P00918 2/20 0.32
ATM Q13315 1/20 0.32
ELANE P08246 1/20 0.32
CTSG P08311 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CTSB P07858 1/20 0.31
EDNRB P24530 1/20 0.30
EDNRA P25101 1/20 0.30

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
SCHEMBL5412466 0.83 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL10180745 0.81 GABRA1 (0.44) GABRA1GABRB2SLC6A2CA2ATM
SCHEMBL10180344 0.80 GABRA1 (0.40) ALDH1A1KMT2AMEN1LMNAGABRA1
SCHEMBL5330770 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL10180094 0.79 ALDH1A1 (0.44) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL27921135 0.78 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL27876505 0.77 GABRA1 (0.47) GABRA1GABRB2SLC6A2CA2ATM
SCHEMBL10179973 0.77 ALDH1A1 (0.45) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL10179424 0.76 ALDH1A1 (0.42) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL10180071 0.75 SLC6A2 (0.49) KMT2AMEN1GABRA1GABRB2SLC6A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130244122-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME ONUKI MASAMICHI (JP) 2013-09-19 US disclosed
US-20120219866-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 US disclosed
EP-2475041-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE BATTERY COMPRISING SAME Mitsubishi Chemical Corporation (JP) 2012-07-11 EP disclosed