SCHEMBL8770948

SCHEMBL8770948

CC(C)(C)OC(=O)CC(O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ALOX5 P09917 1/20 0.49
MAOB P27338 2/20 0.49
NR4A2 P43354 2/20 0.48
MEN1 O00255 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
NR4A1 P22736 1/20 0.44
NR4A3 Q92570 1/20 0.44

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
SCHEMBL8770928 0.86 FFAR1 (0.51) KMT2AALOX5MAOBNR4A2MEN1
SCHEMBL8770884 0.86 KMT2A (0.60) KMT2ASMN1; SMN2ALOX5MAOBNR4A2
SCHEMBL8770913 0.84 KMT2A (0.57) KMT2ASMN1; SMN2ALOX5MAOBNR4A2
SCHEMBL8771185 0.83 SMN1; SMN2 (0.73) KMT2ASMN1; SMN2ALOX5MAOBNR4A2
SCHEMBL23684597 0.83 SYK (0.51) KMT2ASMN1; SMN2ALOX5MAOBNR4A2
SCHEMBL8770863 0.82 L3MBTL1 (0.66) L3MBTL1
SCHEMBL3443228 0.81 SMN1; SMN2 (0.66) KMT2ASMN1; SMN2ALOX5MAOBNR4A2
SCHEMBL16031455 0.81 KMT2A (0.48) KMT2ASMN1; SMN2ALOX5MAOBNR4A2
SCHEMBL16031452 0.81 KMT2A (0.48) KMT2ASMN1; SMN2ALOX5MAOBNR4A2
SCHEMBL28857505 0.80 RIPK1 (0.51) SMN1; SMN2L3MBTL1

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