SCHEMBL776692

SCHEMBL776692

O=P(O)(O)CCCC(c1ccccc1F)c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
S1PR2 O95136 2/20 0.40
S1PR4 O95977 2/20 0.40
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP19A1 P11511 1/20 0.39
CNR2 P34972 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MME P08473 1/20 0.37
ECE1 P42892 1/20 0.37
ANPEP P15144 2/20 0.37
ERAP1 Q9NZ08 2/20 0.37
ERAP2 Q6P179 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL777071 0.92 CYP19A1 (0.48) ALDH1A1MEN1KMT2AS1PR2S1PR4
SCHEMBL781362 0.88 CYP19A1 (0.42) ALDH1A1MEN1KMT2AS1PR2S1PR4
SCHEMBL778564 0.80 CYP3A4 (0.36) ALDH1A1MEN1KMT2AS1PR2S1PR4
SCHEMBL3234324 0.80 ACP3 (0.54) ALDH1A1MEN1KMT2AS1PR2S1PR4
SCHEMBL779167 0.79 CYP3A4 (0.44) MEN1KMT2ACYP3A4CNR2MME
SCHEMBL777837 0.78 CYP2C19 (0.35) ALDH1A1MEN1KMT2AS1PR2S1PR4
SCHEMBL874649 0.77 HTR2A (0.55) ALDH1A1MEN1KMT2AS1PR2S1PR4
SCHEMBL777508 0.76 KMT2A (0.39) MEN1KMT2AS1PR2S1PR4S1PR1
SCHEMBL777640 0.75 SRC (0.46) CYP3A4CYP19A1CNR2
SCHEMBL3233327 0.74 ACP3 (0.51) ALDH1A1MEN1KMT2AS1PR2S1PR4

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 7 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-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
US-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US disclosed