SCHEMBL779593

SCHEMBL779593

Cc1ccc(C(=O)C(=CCP(=O)(O)O)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.54
CES1 P23141 4/20 0.54
POLB P06746 2/20 0.46
LMNA P02545 1/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
PTGS2 P35354 1/20 0.39
CYP1B1 Q16678 1/20 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
SCHEMBL3893683 0.81 LMNA (0.47) CES2CES1POLBLMNANPC1
SCHEMBL778518 0.80 CES2 (0.59) CES2CES1POLBLMNANPC1
SCHEMBL777938 0.78 CES2 (0.48) CES2CES1POLBLMNANPC1
SCHEMBL27977347 0.73 CES2 (0.63) CES2CES1POLBLMNANPC1
SCHEMBL2157002 0.73 CES2 (1.00) CES2CES1POLBLMNANPC1
SCHEMBL3885615 0.73 LMNA (0.41) CES2CES1POLBLMNANPC1
SCHEMBL4755644 0.72 CES2 (0.59) CES2CES1RAB9AMAPTALDH1A1
SCHEMBL2830740 0.72 CES2 (0.61) CES2CES1POLBLMNANPC1
SCHEMBL2830742 0.72 CES2 (0.61) CES2CES1POLBLMNANPC1
SCHEMBL12560996 0.72 CES2 (0.61) CES2CES1POLBLMNANPC1

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