SCHEMBL11748680

SCHEMBL11748680

CCOC(=O)C(CCOCCCl)(C(=O)OCC)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
GAA P10253 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 6/20 0.37
MEN1 O00255 5/20 0.37
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 2/20 0.36
PIN1 Q13526 1/20 0.35
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
STAT3 P40763 1/20 0.35
HTT P42858 1/20 0.35
KCNH2 Q12809 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL11588715 0.87 GAA (0.48) ALDH1A1GAAL3MBTL1KMT2AMEN1
Hydrochloric Acid SCHEMBL11747439 0.84 CYP3A4 (0.44) ALDH1A1KMT2AMEN1NPSR1KDM4E
SCHEMBL31424950 0.80 L3MBTL1 (0.45) ALDH1A1GAAL3MBTL1KMT2AMEN1
SCHEMBL8837596 0.77 ALDH1A1 (0.42) ALDH1A1GAAL3MBTL1KMT2AMEN1
SCHEMBL12385396 0.76 ALDH1A1 (0.50) ALDH1A1L3MBTL1KMT2AMEN1NPSR1
SCHEMBL11752065 0.71 GAA (0.43) ALDH1A1GAAL3MBTL1MAPTHPGD
SCHEMBL30466177 0.71 ALDH1A1 (0.41) ALDH1A1GAAL3MBTL1KMT2AMEN1
SCHEMBL25694398 0.71 ALDH1A1 (0.41) ALDH1A1GAAL3MBTL1KMT2AMEN1
SCHEMBL10653857 0.69 ALDH1A1 (0.38) ALDH1A1GAAL3MBTL1KMT2AMEN1
SCHEMBL17163192 0.69 ALDH1A1 (0.47) ALDH1A1GAAKMT2AMEN1NPSR1

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-4014898-A RETARDS RIPENING OF FRUITS, PRESERVES CUT FLOWERS, PLANT GROWTH REGULATORS HOFFMANN-LA ROCHE INC. (US) 1977-03-29 US disclosed