SCHEMBL8771185

SCHEMBL8771185

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.73
KMT2A Q03164 1/20 0.73
NR4A2 P43354 1/20 0.56
CTSA P10619 1/20 0.54
MAOB P27338 1/20 0.54
ALOX5 P09917 1/20 0.53
FFAR1 O14842 2/20 0.53
SMPD1 P17405 1/20 0.51
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PKM P14618 1/20 0.50
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
SRD5A2 P31213 1/20 0.50

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
SCHEMBL3443228 0.89 SMN1; SMN2 (0.66) SMN1; SMN2KMT2ANR4A2MAOBALOX5
SCHEMBL8770884 0.87 KMT2A (0.60) SMN1; SMN2KMT2ANR4A2MAOBALOX5
SCHEMBL8770913 0.84 KMT2A (0.57) SMN1; SMN2KMT2ANR4A2MAOBALOX5
SCHEMBL10317574 0.84 FFAR1 (0.63) SMN1; SMN2KMT2ANR4A2MAOBALOX5
SCHEMBL8771189 0.84 FFAR1 (0.63) SMN1; SMN2KMT2ANR4A2MAOBALOX5
SCHEMBL8181061 0.84 KMT2A (0.58) SMN1; SMN2KMT2ANR4A2MAOBALOX5
SCHEMBL3443080 0.84 KMT2A (0.58) SMN1; SMN2KMT2ANR4A2MAOBALOX5
SCHEMBL9188249 0.84 KMT2A (0.58) SMN1; SMN2KMT2ANR4A2MAOBALOX5
SCHEMBL8770948 0.83 KMT2A (0.56) SMN1; SMN2KMT2ANR4A2MAOBALOX5
SCHEMBL13315407 0.82 KMT2A (0.55) SMN1; SMN2KMT2ANR4A2MAOBALOX5

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