SCHEMBL8386109

SCHEMBL8386109

CCCCC(=O)N(CCC)[N]C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
CES1 P23141 2/20 0.39
CES2 O00748 1/20 0.38
TP53 P04637 1/20 0.35
CA1 P00915 1/20 0.34
LMNA P02545 1/20 0.34
KDM5A P29375 10/20 0.34
KDM4C Q9H3R0 9/20 0.34
HPGD P15428 1/20 0.33
KDM5C P41229 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
PHF8 Q9UPP1 3/20 0.33
KDM4A O75164 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
SCHEMBL8386139 0.88 ALDH1A1 (0.35) ALDH1A1CES1CES2TP53HPGD
SCHEMBL8383109 0.86 ALDH1A1 (0.48) ALDH1A1CES1CES2TP53CA1
SCHEMBL103879 0.80 ALDH1A1 (0.50) ALDH1A1CES1CES2TP53CA1
SCHEMBL8386196 0.77 CA12 (0.34) ALDH1A1HPGD
SCHEMBL8381418 0.76 ALDH1A1 (0.56) ALDH1A1CES1CES2TP53CA1
SCHEMBL11770064 0.70 ALDH1A1 (0.61) ALDH1A1CES1CES2TP53CA1
SCHEMBL21710075 0.69 ALDH1A1 (0.62) ALDH1A1CES1CES2TP53CA1
SCHEMBL102978 0.67 ALDH1A1 (0.38) ALDH1A1CES1CES2TP53LMNA
SCHEMBL12209586 0.67 LMNA (0.62) ALDH1A1CES1CES2TP53CA1
SCHEMBL27412205 0.67 ALDH1A1 (0.54) ALDH1A1CES1CES2TP53CA1

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
US-5861429-A MITICIDES AND ANTHELMINTICS SANKYO COMPANY, LIMITED (JP) 1999-01-19 US claimed