SCHEMBL777747

SCHEMBL777747

CCC(CC)OP(=O)(O)C(=O)c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
SRD5A2 P31213 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GSK3B P49841 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.36
MMP13 P45452 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL780171 0.86 ALDH1A1 (0.41) ALDH1A1LMNAGAAMAPTCES2
SCHEMBL781342 0.75 ALDH1A1 (0.44) ALDH1A1LMNAGAAMAPTCES2
SCHEMBL779060 0.75 THRB (0.41) ALDH1A1LMNAGAAMAPTNPC1
SCHEMBL779897 0.75 ALDH1A1 (0.40) ALDH1A1LMNAGAACES2CES1
SCHEMBL3884022 0.75 TSHR (0.48) ALDH1A1LMNAGAAMAPTMEN1
SCHEMBL778047 0.72 L3MBTL1 (0.48) ALDH1A1LMNAL3MBTL1TSHR
SCHEMBL2258545 0.70 ALDH1A1 (0.61) ALDH1A1LMNAGAACES2CES1
SCHEMBL777553 0.70 ALDH1A1 (0.45) ALDH1A1LMNAGAAMAPTCES2
SCHEMBL779807 0.70 RAB9A (0.40) ALDH1A1LMNAMAPTCES2CES1
SCHEMBL779323 0.69 ALDH1A1 (0.51) ALDH1A1LMNAGAAMAPTCES2

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