SCHEMBL779314

SCHEMBL779314

C=CCCOP(=O)(O)C(=O)c1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 2/20 0.36
NPC1 O15118 2/20 0.36
HTT P42858 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
PKM P14618 2/20 0.36
ATM Q13315 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HPGD P15428 2/20 0.36
NLRP1 Q9C000 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
NTSR1 P30989 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35

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
SCHEMBL779315 0.87 ALDH1A1 (0.40) ALDH1A1LMNAL3MBTL1KMT2ANPC1
SCHEMBL781342 0.81 ALDH1A1 (0.44) ALDH1A1LMNAL3MBTL1KMT2ANPC1
SCHEMBL778047 0.78 L3MBTL1 (0.48) ALDH1A1LMNAL3MBTL1LPAR2LPAR3
SCHEMBL778707 0.77 KDM4E (0.43) ALDH1A1LMNAL3MBTL1KMT2ANPC1
SCHEMBL3884043 0.77 LMNA (0.44) LMNAKMT2AHTTHPGDGAA
SCHEMBL13758161 0.73 TRPV1 (0.49) ALDH1A1LMNAKMT2ANPC1TDP1
SCHEMBL3884045 0.73 GAA (0.40) ALDH1A1LMNAKMT2AHTTTDP1
SCHEMBL779771 0.72 KMT2A (0.51) ALDH1A1L3MBTL1KMT2ANPC1HTT
SCHEMBL778424 0.70 KDM4E (0.41) ALDH1A1LMNAL3MBTL1KMT2AHTT
SCHEMBL777553 0.70 ALDH1A1 (0.45) ALDH1A1LMNAKMT2ANPC1HTT

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