SCHEMBL8770943

SCHEMBL8770943

CCOC(=O)CC(O)c1cccc(F)c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.43
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
NPC1 O15118 1/20 0.42
MEN1 O00255 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.41
F10 P00742 2/20 0.40
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40

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
SCHEMBL5685475 0.87 MAPT (0.55) MAPTPOLBMAPK1LMNAHDAC4
SCHEMBL12836547 0.85 MAPT (0.45) MAPTPOLBMAPK1CES2CES1
SCHEMBL987559 0.85 MAPT (0.45) MAPTPOLBMAPK1CES2CES1
SCHEMBL8770903 0.85 L3MBTL1 (0.49) MAPTPOLBMAPK1CES2CES1
SCHEMBL8770949 0.84 CES2 (0.40) MAPTCES2CES1LMNAMEN1
SCHEMBL5720988 0.84 MAPT (0.44) MAPTPOLBMAPK1LMNAHDAC4
SCHEMBL7403590 0.84 MAPT (0.44) MAPTPOLBMAPK1LMNAHDAC4
Hydrochloric Acid SCHEMBL7339173 0.83 MAPT (0.43) MAPTPOLBMAPK1LMNAHDAC4
Hydrochloric Acid SCHEMBL7902491 0.83 MAPT (0.43) MAPTPOLBMAPK1LMNAHDAC4
SCHEMBL8770972 0.82 L3MBTL1 (0.43) MAPTL3MBTL1F10

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