SCHEMBL779597

SCHEMBL779597

CCc1cccc([PH](=O)O)c1-c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.41
HSP90AA1 P07900 1/20 0.40
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2B P29275 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
PTPN5 P54829 1/20 0.35
GRIA2 P42262 1/20 0.34
GRIA4 P48058 1/20 0.34
KCNN4 O15554 1/20 0.34
RIPK1 Q13546 2/20 0.33
USP7 Q93009 1/20 0.33
ANPEP P15144 1/20 0.33
DPP4 P27487 1/20 0.33
GCGR P47871 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL781244 0.84 PDK2 (0.33) PDK2HSP90AA1PTPN5ALDH1A1MAPT
SCHEMBL18486709 0.82 PDK2 (0.38) PDK2ADORA2AGABRA1GABRB2PTPN5
SCHEMBL776972 0.81 MYC (0.40) PDK2HSP90AA1ALDH1A1MAPTL3MBTL1
SCHEMBL4132509 0.75 MAPT (0.39) ALDH1A1MAPTL3MBTL1CA9
SCHEMBL575314 0.74 GABRA1 (0.44) GABRA1GABRB2ALDH1A1MAPTL3MBTL1
SCHEMBL5524493 0.73 KEAP1 (0.47) PDK2HSP90AA1ALDH1A1
SCHEMBL22763943 0.72 L3MBTL1 (0.45) PDK2ALDH1A1MAPTL3MBTL1CA1
SCHEMBL2700417 0.70 CES2 (0.41) ALDH1A1MAPT
SCHEMBL5667844 0.70 GABRA1 (0.45) GABRA1GABRB2ALDH1A1L3MBTL1
SCHEMBL27633779 0.70 GABRA1 (0.45) GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9608291-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2017-03-28 US disclosed
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-20150188192-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2015-07-02 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
US-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US disclosed