SCHEMBL778424

SCHEMBL778424

C=CCc1ccccc1OP(=O)(O)C(=O)c1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
MAPT P10636 2/20 0.40
NPY1R P25929 1/20 0.40
MAPK1 P28482 1/20 0.40
NPY2R P49146 1/20 0.40
ELANE P08246 1/20 0.40
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.38
ADRB2 P07550 3/20 0.37
ADRB1 P08588 3/20 0.37
LMNA P02545 3/20 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

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
SCHEMBL779807 0.85 RAB9A (0.40) KDM4EMAPTMAPK1ALDH1A1MEN1
SCHEMBL778226 0.82 KDM4E (0.43) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL778355 0.81 SRC (0.41) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL3890796 0.81 KDM4E (0.42) KDM4EMAPTNPY1RMAPK1NPY2R
SCHEMBL777302 0.78 ALDH1A1 (0.46) KDM4EMAPTALDH1A1GAAMEN1
SCHEMBL779407 0.77 KDM4E (0.46) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL175488 0.76 SRC (0.50) KDM4EALDH1A1ADRB2ADRB1LMNA
SCHEMBL3474948 0.76 KDM4E (0.45) KDM4EALDH1A1GAAADRB2ADRB1
SCHEMBL776650 0.74 KDM4E (0.44) KDM4EMAPTALDH1A1GAAADRB2
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