SCHEMBL28112910

SCHEMBL28112910

CCC(=O)OCCC1(C)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.45
GAA P10253 2/20 0.36
HTT P42858 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
WRN Q14191 1/20 0.33
HIF1A Q16665 1/20 0.33
DGKA P23743 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DNM1 Q05193 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
ADRA2A P08913 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
SCHEMBL17865589 0.79 NAAA (0.45) NAAAGAAHTTALDH1A1KDM4E
SCHEMBL27831775 0.78 ALDH1A1 (0.43) GAAHTTALDH1A1
SCHEMBL27911364 0.76 NAAA (0.42) NAAAGAAHTTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL28793435 0.76 NAAA (0.42) NAAAGAAHTTALDH1A1KDM4E
SCHEMBL28793359 0.75 NAAA (0.41) NAAAGAAHTTALDH1A1KDM4E
SCHEMBL28757143 0.75 NAAA (0.41) NAAAGAAHTTALDH1A1KDM4E
SCHEMBL50301 0.74 NAAA (0.64) NAAAGAAHTTALDH1A1KDM4E
SCHEMBL21268122 0.72 NAAA (0.43) NAAAGAAHTTALDH1A1CYP1A2
Water SCHEMBL28123302 0.71 NAAA (0.61) NAAAGAAHTTALDH1A1KDM4E
SCHEMBL4702420 0.71 CYP1A2 (0.45) GAAALDH1A1KDM4ECYP1A2KMT2A

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
CN-106207261-A Electrolyte and battery 松下知识产权经营株式会社 2016-12-07 CN disclosed