SCHEMBL777748

SCHEMBL777748

CCCCCOP(=O)(OCCCCC)C(=O)c1ccc(C)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
LPAR3 Q9UBY5 3/20 0.47
LPAR1 Q92633 2/20 0.47
LPAR2 Q9HBW0 2/20 0.47
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 3/20 0.43
PLA2G4B P0C869 1/20 0.42
PLA2G2D Q9UNK4 1/20 0.41
LMNA P02545 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
PLK1 P53350 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
SCHEMBL780152 0.95 L3MBTL1 (0.46) L3MBTL1TSHRALDH1A1LMNACES2
SCHEMBL781343 0.89 ALDH1A1 (0.46) L3MBTL1ALDH1A1LMNACES2CES1
SCHEMBL778047 0.86 L3MBTL1 (0.48) L3MBTL1LPAR3LPAR1LPAR2TP53
SCHEMBL779782 0.82 ALDH1A1 (0.59) L3MBTL1ALDH1A1LMNACES2CES1
SCHEMBL4610696 0.81 HDAC3 (0.52) ALDH1A1LMNACES2CES1NPC1
SCHEMBL4611182 0.81 ALDH1A1 (0.50) L3MBTL1TSHRALDH1A1LMNACES2
Phosphoric Acid Monotetradecyl Ester SCHEMBL28092995 0.80 LPAR3 (0.75) L3MBTL1LPAR3LPAR1LPAR2
SCHEMBL4609433 0.77 CYP3A4 (0.51) L3MBTL1TSHRALDH1A1LMNA
SCHEMBL779315 0.77 ALDH1A1 (0.40) L3MBTL1LPAR3LPAR2ALDH1A1LMNA
SCHEMBL779061 0.76 TSHR (0.50) L3MBTL1LPAR3LPAR1LPAR2TP53

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