SCHEMBL5537593

SCHEMBL5537593

CCC(F)CCOC(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CHRNB2 P17787 3/20 0.33
CHRNA4 P43681 3/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
ZDHHC7 Q9NXF8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
SOAT1 P35610 1/20 0.30

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
SCHEMBL610460 0.91 ALDH1A1 (0.40) CA1CA2CHRNB2CHRNA4CHRNB4
SCHEMBL610461 0.81 MAPT (0.32) CA1CA2CHRNB2CHRNA4CHRNB4
SCHEMBL2035783 0.80 CHRNB2 (0.38) CA1CA2CHRNB2CHRNA4CHRNB4
SCHEMBL13540974 0.77 CA1 (0.39) CA1CA2CHRNB2CHRNA4CHRNB4
SCHEMBL21316593 0.77 CA1 (0.39) CA1CA2CHRNB2CHRNA4CHRNB4
SCHEMBL47896 0.74 SMN1; SMN2 (0.41) CA1CA2ZDHHC7ALDH1A1MGAM
SCHEMBL11299808 0.73 CA1 (0.41) CA1CA2CHRNB2CHRNA4CHRNB4
SCHEMBL12251292 0.73 CA1 (0.37) CA1CA2CHRNB2CHRNA4CHRNB4
SCHEMBL305153 0.73 MAPK1 (0.47) CA1CA2CHRNB2CHRNA4CHRNB4
SCHEMBL15827818 0.72 TSHR (0.50) CA1CA2ALDH1A1MGAMGAA

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
CN-100499244-C Nonaqueous electrolyte secondary battery and nonaqueous electrolyte SANYO ELECTRIC CO MITSUBISHI C (JP) 2009-06-10 CN disclosed
US-20070178379-A1 Non-aqueous electrolyte secondary battery and non-aqueous electrolyte SANYO ELECTRIC CO., LTD. (JP) 2007-08-02 US disclosed
EP-1806806-A1 NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY AND NON-AQUEOUS ELECTROLYTE Sanyo Electric Co., Ltd. (JP) 2007-07-11 EP disclosed
CN-1981406-A Nonaqueous electrolyte secondary battery and nonaqueous electrolyte SANYO ELECTRIC CO (JP) 2007-06-13 CN disclosed