SCHEMBL25419166

SCHEMBL25419166

O=CCC(OCCO)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.40
ALDH1A1 P00352 2/20 0.37
RECQL P46063 1/20 0.37
GLS O94925 1/20 0.36
CYP2D6 P10635 3/20 0.35
SLC6A2 P23975 3/20 0.35
CYP3A4 P08684 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
KCNH2 Q12809 2/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL29048894 0.85 SLC6A2 (0.33) ALDH1A1SLC6A2SLC6A4SLC6A3CYP2C19
SCHEMBL5550370 0.80 GSR (0.50) GSRALDH1A1RECQLGLSCYP2D6
SCHEMBL4991720 0.79 L3MBTL1 (0.41) ALDH1A1KMT2AHTTL3MBTL1
SCHEMBL27907309 0.77 GABBR2 (0.44) GSRGLSCYP2C19
SCHEMBL1895571 0.77 CHRNB2 (0.49) ALDH1A1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL3489157 0.77 LMNA (0.45) GSRALDH1A1RECQLCYP2D6SLC6A2
SCHEMBL5549297 0.77 CHRNB2 (0.51) GSRALDH1A1RECQLCYP2D6SLC6A2
SCHEMBL13126325 0.75 ALDH1A1 (0.39) GSRALDH1A1RECQLGLSCYP2D6
SCHEMBL26612283 0.75 GSR (0.42) GSRALDH1A1RECQLGLSCYP2D6
SCHEMBL28122302 0.75 ALDH1A1 (0.39) GSRALDH1A1RECQLGLSCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023223639-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, OPTICAL FILM, AND DISPLAY APPARATUS 住友化学株式会社 2023-11-23 WO disclosed
WO-2023100716-A1 CIRCULARLY POLARIZING PLATE WITH ADHESIVE LAYER 住友化学株式会社 2023-06-08 WO disclosed
WO-2023092729-A1 HEMOSTATIC DRESSING AND PREPARATION METHOD THEREFOR 深圳先进技术研究院 2023-06-01 WO disclosed