SCHEMBL11268612

SCHEMBL11268612

CN(C)CCOC(=O)/C=C/c1ccccc1C#N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 2/20 0.49
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
RECQL P46063 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
STAT3 P40763 1/20 0.41
ALOX5 P09917 2/20 0.41
BCHE P06276 4/20 0.40
ACHE P22303 3/20 0.40
MAOB P27338 2/20 0.40
AKR1B10 O60218 2/20 0.38

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
SCHEMBL28645173 0.85 APP (0.47) ALDH1A1KDM4ESMN1; SMN2HPGDLMNA
SCHEMBL28653578 0.85 APP (0.47) ALDH1A1KDM4ESMN1; SMN2HPGDLMNA
SCHEMBL4623064 0.83 APP (0.49) ALDH1A1KDM4ESMN1; SMN2HPGDMAPT
SCHEMBL4623066 0.83 APP (0.49) ALDH1A1KDM4ESMN1; SMN2HPGDMAPT
SCHEMBL8050356 0.82 ALDH1A1 (0.48) ALDH1A1KDM4ESMN1; SMN2HPGDLMNA
SCHEMBL5317693 0.82 ALDH1A1 (0.48) ALDH1A1KDM4ESMN1; SMN2HPGDLMNA
SCHEMBL31279789 0.81 APP (0.51) ALDH1A1KDM4ESMN1; SMN2HPGDLMNA
SCHEMBL28650877 0.79 ALDH1A1 (0.42) ALDH1A1KDM4ESMN1; SMN2HPGDLMNA
SCHEMBL28650880 0.79 ALDH1A1 (0.42) ALDH1A1KDM4ESMN1; SMN2HPGDLMNA
SCHEMBL4281638 0.78 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2HPGDGAA

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
JP-57212151-A None JP disclosed
JP-S57212151-A PHOTOSENSITIVE SUBSTANCE HITACHI LTD 1982-12-27 JP disclosed