SCHEMBL777841

SCHEMBL777841

Cc1ccc(C(=O)OP(=O)(CC(F)(F)F)OC(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
CA2 P00918 1/20 0.42
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.39
GSK3B P49841 1/20 0.38

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
SCHEMBL7895149 0.76 TDP1 (0.59) TDP1RAB9ANPC1ALDH1A1MAPT
SCHEMBL418469 0.74 TDP1 (0.57) TDP1RAB9ANPC1ALDH1A1MAPT
SCHEMBL6522079 0.74 TDP1 (0.57) TDP1RAB9ANPC1ALDH1A1MAPT
SCHEMBL21185910 0.74 TDP1 (0.52) TDP1CA2RAB9ANPC1ALDH1A1
SCHEMBL3892971 0.74 CYP3A4 (0.53) MAPTGAAKMT2ALMNASMN1; SMN2
SCHEMBL4609993 0.72 ALDH1A1 (0.42) TDP1CA2RAB9ANPC1ALDH1A1
SCHEMBL777317 0.72 TDP1 (0.53) TDP1RAB9ANPC1ALDH1A1MAPT
SCHEMBL779855 0.72 TDP1 (0.53) TDP1RAB9ANPC1ALDH1A1MAPT
SCHEMBL27640695 0.71 TDP1 (0.57) TDP1CA2RAB9ANPC1ALDH1A1
SCHEMBL23559376 0.70 RAB9A (0.51) TDP1CA2RAB9ANPC1ALDH1A1

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