SCHEMBL10877507

SCHEMBL10877507

CCOC(=O)/C(=N\OCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 15/20 0.41
▸ NMBR P28336 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.33
▸ CES2 O00748 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL10871413 1.00 SIRT2 (0.41) SIRT2NMBRALDH1A1CES2ACHE
SCHEMBL10871417 0.80 SIRT2 (0.40) SIRT2NMBRCES2CES1
SCHEMBL3573464 0.80 SIRT2 (0.49) SIRT2NMBRALDH1A1
Alcohol SCHEMBL6432975 0.79 SIRT2 (0.47) SIRT2NMBRALDH1A1
SCHEMBL7713289 0.76 SIRT2 (0.46) SIRT2NMBRALDH1A1
SCHEMBL6777569 0.76 SIRT2 (0.48) SIRT2NMBRALDH1A1
SCHEMBL23278623 0.75 SIRT2 (0.46) SIRT2NMBR
SCHEMBL9060018 0.74 SIRT2 (0.41) SIRT2ALDH1A1
SCHEMBL2034215 0.74 SIRT2 (0.46) SIRT2SMN1; SMN2
SCHEMBL14901171 0.73 SIRT2 (0.46) SIRT2NMBR

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-61130273-A — — None — — JP disclosed
JP-S61130273-A ALPHA-OXYIMINOBUTYRIC ACID DERIVATIVE, AND PREPARATION THEREOF DAI ICHI SEIYAKU CO LTD 1986-06-18 — — JP disclosed
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