SCHEMBL777538

SCHEMBL777538

O=[PH](O)c1cccc(C2CCCCC2)c1-c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 4/20 0.40
PTPN2 P17706 1/20 0.40
PTGS2 P35354 1/20 0.40
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
ABCB1 P08183 1/20 0.34
PDE6D O43924 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
OPRL1 P41146 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
PTPRC P08575 1/20 0.33
PTPRF P10586 1/20 0.33
PTPN1 P18031 1/20 0.33
CDC25B P30305 1/20 0.33
JAK2 O60674 1/20 0.32
POLB P06746 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
SCHEMBL780832 0.77 PTGDR2 (0.45) PTPN5PTPN2PTGS2PTGDR2SMN1; SMN2
SCHEMBL10844097 0.77 PTGDR2 (0.45) PTPN5PTPN2PTGS2PTGDR2SMN1; SMN2
SCHEMBL776972 0.74 MYC (0.40) GAATNKS2SMN1; SMN2NPC1RAB9A
SCHEMBL27628136 0.73 PTGDR2 (0.39) PTPN5PTPN2PTGS2PTGDR2ABCB1
SCHEMBL9779735 0.71 PTGS2 (0.47) PTPN5PTPN2PTGS2KDM4EGAA
SCHEMBL779597 0.71 PDK2 (0.41) PTPN5
SCHEMBL4132509 0.70 MAPT (0.39) KDM4ETNKS2NPC1KMT2APTPRC
SCHEMBL1532193 0.70 PTGS2 (0.46) PTPN5PTPN2PTGS2PTGDR2PTPRC
SCHEMBL28136045 0.70 PTPN5 (0.41) PTPN5PTPN2PTGS2KDM4EGAA
SCHEMBL17068945 0.70 KDM4E (0.53) PTPN5PTPN2PTGS2KDM4EGAA

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