SCHEMBL6156482

SCHEMBL6156482

CCCOC(=O)CC(O)CI

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NAAA Q02083 1/20 0.35
DGKA P23743 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
DUSP3 P51452 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ESR1 P03372 1/20 0.32
CHRM1 P11229 1/20 0.32
TSHR P16473 1/20 0.32
SLC6A2 P23975 1/20 0.32
KDR P35968 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL6154469 0.89 NAAA (0.46) ALDH1A1L3MBTL1NAAADGKAHCAR2
SCHEMBL28629828 0.89 NAAA (0.46) ALDH1A1L3MBTL1NAAADGKAHCAR2
SCHEMBL6155107 0.87 NAAA (0.40) ALDH1A1L3MBTL1NAAADGKAHCAR2
SCHEMBL10780879 0.85 NAAA (0.56) L3MBTL1NAAADGKAHCAR2MAPT
SCHEMBL10780813 0.85 NAAA (0.56) L3MBTL1NAAADGKAHCAR2MAPT
SCHEMBL10775576 0.85 NAAA (0.56) L3MBTL1NAAADGKAHCAR2MAPT
SCHEMBL606590 0.83 MGAM (0.46) ALDH1A1L3MBTL1LMNAKDM4ECHRM1
SCHEMBL2168521 0.83 MGAM (0.46) ALDH1A1L3MBTL1LMNAKDM4ECHRM1
SCHEMBL2168517 0.83 MGAM (0.46) ALDH1A1L3MBTL1LMNAKDM4ECHRM1
SCHEMBL9744320 0.83 ALDH1A1 (0.38) ALDH1A1L3MBTL1NAAADGKAHCAR2

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