SCHEMBL10246149

SCHEMBL10246149

CC(=O)N[C@@H](CO)C(=O)NCCC(C)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
NMT2 O60551 1/20 0.41
NMT1 P30419 1/20 0.41
ALDH1A1 P00352 3/20 0.37
CPA1 P15085 1/20 0.35
CPA2 P48052 1/20 0.35
CPA4 Q9UI42 1/20 0.35
TLR2 O60603 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
NFKB1 P19838 1/20 0.34
PTGS2 P35354 1/20 0.34
THPO P40225 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CAPN9 O14815 1/20 0.34

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
SCHEMBL10246348 0.84 ALDH1A1 (0.40) SIRT6SIRT1NMT2NMT1ALDH1A1
SCHEMBL24654168 0.80 SIRT6 (0.48) SIRT6SIRT1NMT2NMT1ALDH1A1
SCHEMBL21126096 0.79 SIRT6 (0.49) SIRT6SIRT1NMT2NMT1ALDH1A1
SCHEMBL25586502 0.76 KMT2A (0.41) ALDH1A1RECQLMAPK1MEN1KMT2A
SCHEMBL14577009 0.75 ALDH1A1 (0.46) SIRT6SIRT1NMT2NMT1ALDH1A1
SCHEMBL14577008 0.75 ALDH1A1 (0.46) SIRT6SIRT1NMT2NMT1ALDH1A1
SCHEMBL14576862 0.75 ALDH1A1 (0.46) SIRT6SIRT1NMT2NMT1ALDH1A1
SCHEMBL14611679 0.74 MAPT (0.45) SIRT6SIRT1ALDH1A1TLR2KDM4E
SCHEMBL14611729 0.74 MAPT (0.45) SIRT6SIRT1ALDH1A1TLR2KDM4E
SCHEMBL14611821 0.74 MAPT (0.45) SIRT6SIRT1ALDH1A1TLR2KDM4E

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-2012036907-A2 BROAD SPECTRUM ANTIBIOTIC ARYLOMYCIN ANALOGS ROMESBERG FLOYD E (US) 2012-03-22 WO disclosed