SCHEMBL16865161

SCHEMBL16865161

CC1CC1C(=O)OCCOC(=O)C1CC1C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 5/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 2/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
MCL1 Q07820 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL298981 0.89 L3MBTL1 (0.44) POLBKDM4EALDH1A1L3MBTL1NPC1
SCHEMBL27699146 0.89 POLB (0.40) POLBKDM4EALDH1A1L3MBTL1NPC1
SCHEMBL16667356 0.88 ALDH1A1 (0.50) POLBKDM4EALDH1A1L3MBTL1NPC1
SCHEMBL9961307 0.88 ALDH1A1 (0.50) POLBKDM4EALDH1A1L3MBTL1NPC1
SCHEMBL15127989 0.85 ALDH1A1 (0.48) POLBKDM4EALDH1A1L3MBTL1NPC1
SCHEMBL16865185 0.84 THRB (0.50) POLBKDM4EALDH1A1L3MBTL1NPC1
SCHEMBL294969 0.83
SCHEMBL15087263 0.83
SCHEMBL8346980 0.83
SCHEMBL440359 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150188193-A1 NON-AQUEOUS LIQUID ELECTROLYTE FOR SECONDARY BATTERY AND SECONDARY BATTERY FUJIFILM CORPORATION (JP) 2015-07-02 US disclosed