SCHEMBL8770928

SCHEMBL8770928

CC(C)(C)OC(=O)CC(O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.51
PRKCA P17252 2/20 0.51
PRKCD Q05655 2/20 0.51
ALOX5 P09917 1/20 0.49
MAOB P27338 1/20 0.49
LTA4H P09960 1/20 0.48
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
PLA2G4B P0C869 1/20 0.46

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
SCHEMBL8770948 0.86 KMT2A (0.56) ALOX5MAOBNR4A1NR4A2NR4A3
SCHEMBL6976976 0.86 FFAR1 (0.50) FFAR1PRKCAPRKCDALOX5MAOB
SCHEMBL6976981 0.86 FFAR1 (0.50) FFAR1PRKCAPRKCDALOX5MAOB
SCHEMBL8770978 0.85 MAOB (0.57) FFAR1ALOX5MAOBLTA4HNR4A1
SCHEMBL1508259 0.85 MAOB (0.57) FFAR1ALOX5MAOBLTA4HNR4A1
SCHEMBL5654433 0.83 RIPK1 (0.51) KDM4EMAPT
SCHEMBL28857505 0.83 RIPK1 (0.51) KDM4EMAPT
SCHEMBL232540 0.83 LMNA (0.59) FFAR1PRKCAPRKCDALOX5MAOB
SCHEMBL8771189 0.82 FFAR1 (0.63) FFAR1ALOX5MAOBLTA4HNR4A1
SCHEMBL10317574 0.82 FFAR1 (0.63) FFAR1ALOX5MAOBLTA4HNR4A1

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