SCHEMBL778518

SCHEMBL778518

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

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 6/20 0.59
CES1 P23141 6/20 0.59
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.41
PTGS2 P35354 1/20 0.41
CYP1B1 Q16678 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
CCR6 P51684 1/20 0.41

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
SCHEMBL779593 0.80 CES2 (0.54) CES2CES1LMNAPOLBNPC1
SCHEMBL778666 0.79 HPGD (0.42) POLBNPC1RAB9AKMT2AMAPT
SCHEMBL10673818 0.78 CES2 (0.47) CES2CES1LMNAPOLBNPC1
SCHEMBL27977347 0.77 CES2 (0.63) CES2CES1LMNAPOLBNPC1
SCHEMBL2157002 0.76 CES2 (1.00) CES2CES1LMNAPOLBNPC1
SCHEMBL780736 0.76 CES2 (0.54) CES2CES1LMNANPC1RAB9A
SCHEMBL12560996 0.75 CES2 (0.61) CES2CES1LMNAPOLBNPC1
SCHEMBL2830742 0.75 CES2 (0.61) CES2CES1LMNAPOLBNPC1
SCHEMBL2830740 0.75 CES2 (0.61) CES2CES1LMNAPOLBNPC1
SCHEMBL1939156 0.75 CES2 (0.61) CES2CES1LMNAPOLBNPC1

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