SCHEMBL28124846

SCHEMBL28124846

CCC(=O)OCCn1cccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ NAAA Q02083 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ BLM P54132 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ WRN Q14191 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ HTT P42858 2/20 0.37
▸ TSHR P16473 1/20 0.36
▸ TBXAS1 P24557 3/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ ADRA2A P08913 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL10815654 0.79 ALDH1A1 (0.47) GAAALDH1A1HTTTSHRTP53
SCHEMBL27405933 0.78 KDM4E (0.45) KDM4EGAANAAAALDH1A1HPGD
SCHEMBL10072238 0.77 TBXAS1 (0.59) KDM4EALDH1A1TBXAS1MEN1KMT2A
SCHEMBL13003479 0.76 HPGD (0.38) KDM4EALDH1A1HPGDHTTTSHR
SCHEMBL28748119 0.74 KDM4E (0.56) KDM4EGAAALDH1A1HPGDBLM
SCHEMBL50301 0.72 NAAA (0.64) KDM4EGAANAAAALDH1A1HPGD
SCHEMBL8036307 0.72 NPSR1 (0.47) GAAALDH1A1CYP1A2HTTTSHR
SCHEMBL14578717 0.72 MEN1 (0.32) GAAHPGDHTTTSHRNPSR1
SCHEMBL9326877 0.71 GAA (0.49) KDM4EGAANAAAALDH1A1HPGD
SCHEMBL16605503 0.71 TP53 (0.32) TP53

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-106365230-A Seawater desalination device utilizing wind energy and working method thereof 江苏建筑职业技术学院 2017-02-01 — — CN claimed
CN-106365230-A Seawater desalination device utilizing wind energy and working method thereof 江苏建筑职业技术学院 2017-02-01 — — CN disclosed
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