SCHEMBL8770977

SCHEMBL8770977

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

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.51
CES1 P23141 1/20 0.51
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
CNR2 P34972 1/20 0.48
FFAR1 O14842 1/20 0.46
CTSA P10619 1/20 0.43
CYP26A1 O43174 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EEF2K O00418 1/20 0.42

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
SCHEMBL5149908 0.85 HDAC4 (0.51) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL3443316 0.84 L3MBTL1 (0.60) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL5857867 0.84 GABBR2 (0.50) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL7426107 0.81 CES2 (0.47) CES2CES1FFAR1CTSAEEF2K
SCHEMBL3511663 0.81 KMT2A (0.55) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL5720869 0.81 KMT2A (0.55) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL4011437 0.81 KMT2A (0.55) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL22303914 0.81 FFAR1 (0.49) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL12883017 0.81 FFAR1 (0.49) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL30661805 0.81 KMT2A (0.55) CES2CES1HDAC4HDAC7HDAC5

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