SCHEMBL776713

SCHEMBL776713

O=P(O)(O)CC(c1ccccc1F)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
ACP3 P15309 2/20 0.41
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
EPHX1 P07099 1/20 0.36
CYP3A4 P08684 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
OPRM1 P35372 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
ANPEP P15144 2/20 0.33
ERAP2 Q6P179 2/20 0.33
HPGD P15428 1/20 0.33
C3AR1 Q16581 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
SCHEMBL777508 0.84 KMT2A (0.39) KMT2AMEN1ACP3NPC1RAB9A
SCHEMBL777105 0.82 ACP3 (0.36) KMT2AMEN1ACP3CYP3A4KDM4E
SCHEMBL777301 0.81 KMT2A (0.44) KMT2AMEN1ACP3NPC1RAB9A
SCHEMBL779167 0.73 CYP3A4 (0.44) KMT2AMEN1ACP3CYP3A4GAA
SCHEMBL776712 0.71 KMT2A (0.43) KMT2AMEN1NPC1RAB9AEPHX1
SCHEMBL27865096 0.71 MEN1 (0.43) KMT2AMEN1CYP3A4GAAOPRM1
SCHEMBL778152 0.70 ACP3 (0.34) KMT2AMEN1ACP3CYP3A4
SCHEMBL2786219 0.70 KMT2A (0.48) KMT2AMEN1NPC1RAB9AEPHX1
SCHEMBL777640 0.69 SRC (0.46) ACP3CYP3A4GAA
SCHEMBL779249 0.69 KMT2A (0.36) KMT2AMEN1ACP3NPC1RAB9A

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