SCHEMBL16865176

SCHEMBL16865176

CC(COC(=O)C1CC1C)OC(=O)C1CC1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.38
POLB P06746 2/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 5/20 0.35
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
MCL1 Q07820 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 1/20 0.32

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
SCHEMBL294531 0.86 TSHR (0.41) L3MBTL1POLBKDM4EALDH1A1NPC1
SCHEMBL6401319 0.83 EPHX1 (0.42) RAB9ASMN1; SMN2HSP90AA1HSP90AB1
SCHEMBL294107 0.76 TSHR (0.40) L3MBTL1POLBKDM4EALDH1A1MAPT
SCHEMBL1297720 0.76 TSHR (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL1196067 0.75 HSP90AA1 (0.36) L3MBTL1POLBKDM4EALDH1A1NPC1
SCHEMBL1196119 0.75 TSHR (0.41) POLBALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL27296220 0.74 TSHR (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL1196371 0.74 HSP90AA1 (0.36) L3MBTL1POLBKDM4EALDH1A1NPC1
SCHEMBL16865161 0.73 POLB (0.42) L3MBTL1POLBKDM4EALDH1A1NPC1
SCHEMBL14214220 0.73 HSP90AA1 (0.35) POLBKDM4EALDH1A1RAB9AMEN1

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