SCHEMBL28645173

SCHEMBL28645173

CCCOC(=O)/C=C/c1ccccc1C#N

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.47
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALOX5 P09917 3/20 0.43
HCAR2 Q8TDS4 1/20 0.41
AKR1B10 O60218 2/20 0.40
AKR1B1 P15121 2/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.39

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
SCHEMBL28653578 1.00 APP (0.47) APPALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL4623066 0.92 APP (0.49) APPALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL4623064 0.92 APP (0.49) APPALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL31279789 0.90 APP (0.51) APPALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL5317693 0.89 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDSMN1; SMN2GAA
SCHEMBL8050356 0.89 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDSMN1; SMN2GAA
SCHEMBL11268612 0.85 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDSMN1; SMN2ALOX5
SCHEMBL11808478 0.84 NFE2L2 (0.45) ALDH1A1SMN1; SMN2GAAL3MBTL1LMNA
SCHEMBL28650877 0.82 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDSMN1; SMN2ALOX5
SCHEMBL28650880 0.82 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDSMN1; SMN2ALOX5

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-110248971-B Copolymer and optical film using the same 东曹株式会社 2021-11-02 CN disclosed