SCHEMBL783577

SCHEMBL783577

CCCOC(OCCC)OC(=O)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.35
FAAH O00519 8/20 0.32
EPHX1 P07099 1/20 0.32
CES1 P23141 5/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL783599 0.83 THRB (0.42) FAAHEPHX1
SCHEMBL784103 0.80 LMNA (0.32)
SCHEMBL802520 0.77 HTT (0.41)
SCHEMBL784098 0.74 TSHR (0.40) CES2MEN1CYP1A2KMT2AHSD17B10
SCHEMBL783724 0.73 CES2 (0.32) CES2
SCHEMBL783931 0.72 NAAA (0.39) MEN1KMT2A
SCHEMBL3289502 0.72 CES2 (0.41) CES2FAAHEPHX1CES1MEN1
SCHEMBL784030 0.72
SCHEMBL783655 0.71 ALDH1A1 (0.46) CES2CES1CYP1A2
SCHEMBL17545272 0.71 CHRM1 (0.34) CES2FAAHEPHX1CES1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102412416-A Nonaqueous electrolyte and nonaqueous electrolyte battery SONY CORP 2012-04-11 CN disclosed
US-20120070730-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS ELECTROLYTE BATTERY SONY CORPORATION (JP) 2012-03-22 US disclosed