SCHEMBL778047

SCHEMBL778047

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

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
LPAR3 Q9UBY5 3/20 0.46
LPAR1 Q92633 2/20 0.46
LPAR2 Q9HBW0 2/20 0.46
PLA2G2D Q9UNK4 1/20 0.43
CETP P11597 3/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
PLA2G4B P0C869 1/20 0.41
PLK1 P53350 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL781342 0.89 ALDH1A1 (0.44) L3MBTL1ALDH1A1LMNA
SCHEMBL777748 0.86 L3MBTL1 (0.49) L3MBTL1LPAR3LPAR1LPAR2PLA2G2D
SCHEMBL780152 0.81 L3MBTL1 (0.46) L3MBTL1TSHRALDH1A1LMNA
Phosphoric Acid Monotetradecyl Ester SCHEMBL28092995 0.79 LPAR3 (0.75) L3MBTL1LPAR3LPAR1LPAR2
SCHEMBL779314 0.78 ALDH1A1 (0.39) L3MBTL1LPAR3LPAR2ALDH1A1LMNA
SCHEMBL779397 0.77 TSHR (0.49) L3MBTL1LPAR3LPAR1LPAR2CETP
SCHEMBL3885801 0.76 LPAR3 (0.50) L3MBTL1LPAR3LPAR1LPAR2PLA2G2D
Phosphoric Acid SCHEMBL29018000 0.76 MAPT (0.66) LPAR2TSHRALDH1A1LMNA
P-Xylene SCHEMBL28732110 0.75 CYP3A4 (0.48) LPAR3LPAR1LPAR2
SCHEMBL781343 0.74 ALDH1A1 (0.46) L3MBTL1ALDH1A1LMNA

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