SCHEMBL22471876

SCHEMBL22471876

CCOCC1OCC1CC

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PDK1 Q15118 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
SCHEMBL3467973 0.91 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1TDP1
SCHEMBL16470051 0.91 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1TDP1
SCHEMBL6680249 0.83 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1TDP1
SCHEMBL1957206 0.82 TSHR (0.38)
SCHEMBL1398352 0.82 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1TDP1
SCHEMBL4839987 0.82 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1TDP1
SCHEMBL4840451 0.79 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL6110907 0.79 ALDH1A1 (0.53) ALDH1A1
SCHEMBL9358634 0.78
SCHEMBL1593028 0.77 FYN (0.44) ALDH1A1TDP1

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-2020195656-A1 FORMED BODY AND PRODUCTION METHOD THEREFOR 株式会社ダイセル 2020-10-01 WO disclosed