SCHEMBL777938

SCHEMBL777938

CC(=CCP(=O)(O)O)C(=O)c1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.48
CES1 P23141 3/20 0.48
GSK3B P49841 1/20 0.42
ALDH1A1 P00352 5/20 0.40
LMNA P02545 4/20 0.40
PKM P14618 2/20 0.40
HTT P42858 2/20 0.40
ATM Q13315 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 2/20 0.40
NLRP1 Q9C000 1/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.40
NTSR1 P30989 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NPC1 O15118 2/20 0.39

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
SCHEMBL780020 0.81 HPGD (0.45) ALDH1A1ATMSMN1; SMN2KMT2AHPGD
SCHEMBL3885615 0.81 LMNA (0.41) CES2CES1GSK3BALDH1A1LMNA
SCHEMBL779593 0.78 CES2 (0.54) CES2CES1ALDH1A1LMNASMN1; SMN2
SCHEMBL11308178 0.78 CES2 (0.50) CES2CES1GSK3BALDH1A1LMNA
SCHEMBL11308189 0.78 CES2 (0.50) CES2CES1GSK3BALDH1A1LMNA
SCHEMBL780736 0.77 CES2 (0.54) CES2CES1GSK3BALDH1A1LMNA
SCHEMBL777437 0.74 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2KMT2AHPGDGAA
SCHEMBL3893683 0.73 LMNA (0.47) CES2CES1ALDH1A1LMNASMN1; SMN2
SCHEMBL16226928 0.69 CES2 (0.58) CES2CES1GSK3BALDH1A1LMNA
SCHEMBL16227118 0.69 CES2 (0.58) CES2CES1GSK3BALDH1A1LMNA

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