SCHEMBL8770988

SCHEMBL8770988

CC(C)(C)OC(=O)CC(O)c1cccc(F)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP26A1 O43174 1/20 0.38

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
SCHEMBL8770924 0.85 CES2 (0.39) CES2CES1
SCHEMBL17857566 0.84 HDAC4 (0.40) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL8770903 0.84 L3MBTL1 (0.49) CES2CES1L3MBTL1HDAC4HDAC7
SCHEMBL8770896 0.83 L3MBTL1 (0.43) L3MBTL1CTSSCTSKMAPT
SCHEMBL8770902 0.83 L3MBTL1 (0.43) L3MBTL1
SCHEMBL8770937 0.82 AOC3 (0.42) CTSSCTSKMAPT
SCHEMBL8770863 0.82 L3MBTL1 (0.66) CES2CES1L3MBTL1
SCHEMBL28857505 0.82 RIPK1 (0.51) L3MBTL1CTSSCTSKMAPT
SCHEMBL5654433 0.82 RIPK1 (0.51) L3MBTL1CTSSCTSKMAPT
SCHEMBL8770874 0.81 APP (0.42) CES2CES1

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-0451668-B1 Process for the production of optically active alkyl 3-aryl-3-hydroxypropionates CHISSO CORP (JP) 1997-08-13 EP disclosed
US-5202457-A Enzyme catalyzed transesterification, resolution of optical active alkyl 3-aryl-3-hydroxypropionate CHISSO CORPORATION (JP) 1993-04-13 US disclosed
EP-0451668-A2 Optically active alkyl 3-aryl-3-hydroxypropionates and a method for producing thereof CHISSO CORPORATION (JP) 1991-10-16 EP disclosed