SCHEMBL8771264

SCHEMBL8771264

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

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.51
SLC18A3 Q16572 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL27633524 0.84 L3MBTL1 (0.49) CTSAL3MBTL1
SCHEMBL27633523 0.84 L3MBTL1 (0.49) CTSAL3MBTL1
SCHEMBL7141329 0.84 FNTA (0.53) CTSAHTTSMN1; SMN2FNTAFNTB
SCHEMBL8770980 0.81 SLC22A6 (0.37) CTSAHTTSMN1; SMN2
SCHEMBL38666095 0.81 SMN1; SMN2 (0.55) CTSAHTTSMN1; SMN2FNTAFNTB
SCHEMBL825322 0.81 SMN1; SMN2 (0.55) CTSAHTTSMN1; SMN2FNTAFNTB
SCHEMBL31295271 0.81 SMN1; SMN2 (0.55) CTSAHTTSMN1; SMN2FNTAFNTB
SCHEMBL21459503 0.81 SMN1; SMN2 (0.55) CTSAHTTSMN1; SMN2FNTAFNTB
SCHEMBL29478418 0.81 SMN1; SMN2 (0.55) CTSAHTTSMN1; SMN2FNTAFNTB
SCHEMBL5721007 0.81 SMN1; SMN2 (0.55) CTSAHTTSMN1; SMN2FNTAFNTB

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