SCHEMBL778226

SCHEMBL778226

C=CCc1ccccc1OP(=O)(O)C(=O)c1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
HPGD P15428 1/20 0.39
ALDH1A1 P00352 4/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
TP53 P04637 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ADRB2 P07550 3/20 0.37
ADRB1 P08588 3/20 0.37
LMNA P02545 2/20 0.37
HTR1A P08908 1/20 0.37
ADRB3 P13945 1/20 0.37
ADRA2C P18825 1/20 0.37
SLC6A2 P23975 1/20 0.37
BDKRB2 P30411 1/20 0.37

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
SCHEMBL776899 0.85 HPGD (0.43) KDM4EMEN1KMT2ASMN1; SMN2HTT
SCHEMBL778424 0.82 KDM4E (0.41) KDM4EMEN1KMT2ASMN1; SMN2HTT
SCHEMBL778117 0.81 HPGD (0.45) KDM4EMEN1KMT2ASMN1; SMN2HTT
SCHEMBL778002 0.81 SRC (0.41) KDM4EMEN1KMT2ASMN1; SMN2HTT
SCHEMBL3885633 0.78 KDM4E (0.41) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL779407 0.77 KDM4E (0.46) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL175488 0.76 SRC (0.50) KDM4EHPGDALDH1A1ADRB2ADRB1
SCHEMBL3474948 0.76 KDM4E (0.45) KDM4EALDH1A1GAAADRB2ADRB1
SCHEMBL776650 0.74 KDM4E (0.44) KDM4EALDH1A1GAAADRB2ADRB1
SCHEMBL778135 0.74 KDM4E (0.43) KDM4EALDH1A1GAAADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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