SCHEMBL8771189

SCHEMBL8771189

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.63
MMP12 P39900 1/20 0.59
NR4A1 P22736 1/20 0.57
NR4A2 P43354 1/20 0.57
NR4A3 Q92570 1/20 0.57
FFAR4 Q5NUL3 1/20 0.56
LTA4H P09960 2/20 0.56
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
PTGS1 P23219 1/20 0.54
SLC6A2 P23975 1/20 0.54
CYP2C19 P33261 1/20 0.54
PTGS2 P35354 1/20 0.54
SLC6A3 Q01959 1/20 0.54
HIF1A Q16665 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
MAOB P27338 1/20 0.54
PARP10 Q53GL7 1/20 0.54

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
SCHEMBL10317574 1.00 FFAR1 (0.63) FFAR1MMP12NR4A1NR4A2NR4A3
SCHEMBL8182251 0.86 FFAR1 (0.66) FFAR1MMP12NR4A1NR4A2NR4A3
SCHEMBL3983305 0.86 FFAR1 (0.64) FFAR1MMP12NR4A1NR4A2NR4A3
SCHEMBL1508259 0.85 MAOB (0.57) FFAR1NR4A1NR4A2NR4A3LTA4H
SCHEMBL8770978 0.85 MAOB (0.57) FFAR1NR4A1NR4A2NR4A3LTA4H
SCHEMBL22668068 0.85 FFAR1 (0.48) FFAR1MMP12NR4A1NR4A2NR4A3
SCHEMBL8771185 0.84 SMN1; SMN2 (0.73) FFAR1NR4A2KMT2ASMN1; SMN2LMNA
SCHEMBL232540 0.83 LMNA (0.59) FFAR1NR4A1NR4A2NR4A3LMNA
SCHEMBL8162876 0.83 FFAR1 (0.67) FFAR1NR4A1NR4A2NR4A3FFAR4
SCHEMBL5720973 0.83 KMT2A (0.72) FFAR1MMP12NR4A1NR4A2NR4A3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590930-B1 SPIROCYCLICALLY SUBSTITUTED 1,3-PROPANE DIOXIDE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENT SANOFI SA (FR) 2015-02-25 EP disclosed
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