SCHEMBL22490185

SCHEMBL22490185

O=C1OCC(CCOCC(O)COCC2COC(=O)O2)O1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
CYP2D6 P10635 4/20 0.37
MAPT P10636 2/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
CYP2C19 P33261 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
LMNA P02545 2/20 0.34
CYP2C9 P11712 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALOX15 P16050 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
SCHEMBL15427608 0.91 ALDH1A1 (0.43) ALDH1A1CYP2D6MAPTPRMT5WDR77
SCHEMBL16769341 0.87 ALDH1A1 (0.39) ALDH1A1CYP2D6MAPTPRMT5WDR77
SCHEMBL16769340 0.87 ALDH1A1 (0.41) ALDH1A1CYP2D6MAPTPRMT5WDR77
SCHEMBL16450875 0.85 ALDH1A1 (0.44) ALDH1A1CYP2D6MAPTPRMT5WDR77
SCHEMBL19852992 0.85 ALDH1A1 (0.37) ALDH1A1CYP2D6MAPTPRMT5WDR77
SCHEMBL24245836 0.83 CYP2D6 (0.36) ALDH1A1CYP2D6MAPTPRMT5WDR77
SCHEMBL15445678 0.82 ALDH1A1 (0.38) ALDH1A1CYP2D6MAPTPRMT5WDR77
SCHEMBL21432198 0.82 ALDH1A1 (0.36) ALDH1A1CYP2D6MAPTPRMT5WDR77
SCHEMBL16450907 0.80 ALDH1A1 (0.42) ALDH1A1CYP2D6MAPTPRMT5WDR77
SCHEMBL21338799 0.80 ALDH1A1 (0.37) ALDH1A1CYP2D6MAPTPRMT5WDR77

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
WO-2020196845-A1 COATING COMPOSITION AND COATING FILM 大日精化工業株式会社 2020-10-01 WO disclosed