SCHEMBL777539

SCHEMBL777539

O=P(O)(c1ccccc1F)c1ccccc1C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 4/20 0.41
PTPN2 P17706 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.38
PTGS2 P35354 1/20 0.38
PPIA P62937 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DGAT1 O75907 1/20 0.34
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
TAS1R2 Q8TE23 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
OPRL1 P41146 1/20 0.33

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
SCHEMBL19878092 0.80 PTGDR2 (0.44) PTPN5PTPN2PTGDR2PTGS2RAB9A
SCHEMBL27628134 0.76 PTGDR2 (0.41) PTPN5PTPN2PTGDR2PTGS2KMT2A
SCHEMBL779179 0.76 PTPN5 (0.37) PTPN5PTPN2KDM4EGAAPTGDR2
SCHEMBL29436912 0.74 KDM4E (0.53) PTPN5PTPN2KDM4EGAAPTGDR2
SCHEMBL128052 0.74 KDM4E (0.53) PTPN5PTPN2KDM4EGAAPTGDR2
SCHEMBL17068945 0.74 KDM4E (0.53) PTPN5PTPN2KDM4EGAAPTGDR2
SCHEMBL778598 0.74 PTPN5 (0.44) PTPN5PTPN2GAAPTGDR2PTGS2
SCHEMBL316350 0.72 KDM4E (0.55) KDM4EGAAPTGDR2PTGS2SMN1; SMN2
SCHEMBL777584 0.70 KMT2A (0.37) KDM4EGAAPPIARAB9ANPC1
SCHEMBL778614 0.70 KMT2A (0.37) KDM4EGAAPPIARAB9ANPC1

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