SCHEMBL6154560

SCHEMBL6154560

CCCOC(=O)CC(O)COS(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.33
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
USP2 O75604 1/20 0.32
MMP9 P14780 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
DUSP3 P51452 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31

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
SCHEMBL6155426 0.90 MAPT (0.40) RECQLALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL6155710 0.86 GAA (0.39) RECQLALDH1A1NPSR1LMNAALOX15
SCHEMBL6233361 0.81 TSHR (0.35) RECQLALDH1A1L3MBTL1MAPTTSHR
SCHEMBL6155107 0.80 NAAA (0.40) ALDH1A1L3MBTL1MAPTMAPK1NPSR1
SCHEMBL9176112 0.79 HSD17B10 (0.38) ALDH1A1L3MBTL1KDM4ELMNAUSP2
SCHEMBL6155702 0.79 TSHR (0.34) ALDH1A1KDM4ELMNAUSP2MMP9
SCHEMBL6157255 0.77 LMNA (0.41) ALDH1A1LMNAUSP2
SCHEMBL6156482 0.77 ALDH1A1 (0.36) ALDH1A1L3MBTL1MAPTMAPK1NPSR1
SCHEMBL5810650 0.76 ALDH1A1 (0.38) ALDH1A1L3MBTL1MAPTMAPK1NPSR1
SCHEMBL9744320 0.76 ALDH1A1 (0.38) ALDH1A1L3MBTL1MAPTMAPK1NPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0970947-B1 PROCESS FOR PRODUCING BUTYRIC ESTER DERIVATIVES KANEKA CORP (JP) 2005-01-26 EP disclosed
US-6140527-A Process for producing butyric ester derivatives KANEKA CORPORATION (JP) 2000-10-31 US disclosed
EP-0970947-A1 PROCESS FOR PRODUCING BUTYRIC ESTER DERIVATIVES KANEKA CORPORATION (JP) 2000-01-12 EP disclosed