SCHEMBL8771303

SCHEMBL8771303

CCCC(CC(=O)OCCC(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.47
ALDH1A1 P00352 2/20 0.46
F10 P00742 2/20 0.42
GABBR2 O75899 1/20 0.41
GABBR1 Q9UBS5 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
LMNA P02545 2/20 0.38
CYSLTR2 Q9NS75 3/20 0.38
CYSLTR1 Q9Y271 3/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL19266684 0.90 F2 (0.50) F2ALDH1A1F10GABBR2GABBR1
SCHEMBL2719599 0.85 F2 (0.61) F2ALDH1A1F10SMN1; SMN2CYP1A2
SCHEMBL27323723 0.80 ALDH1A1 (0.55) F2ALDH1A1F10GABBR2GABBR1
SCHEMBL2292396 0.80 GABBR2 (0.61) GABBR2GABBR1CYP1A2CYP2D6LMNA
SCHEMBL28346014 0.80 GABBR2 (0.61) GABBR2GABBR1CYP1A2CYP2D6LMNA
SCHEMBL9467365 0.79 ALDH1A1 (0.54) F2ALDH1A1TDP1SMN1; SMN2CHRM2
SCHEMBL27974827 0.79 F2 (0.46) F2ALDH1A1F10SMN1; SMN2LMNA
SCHEMBL29012579 0.79 NPC1 (0.52) F2ALDH1A1SMN1; SMN2LMNA
SCHEMBL9468152 0.78 ALDH1A1 (0.50) F2ALDH1A1GABBR2GABBR1TDP1
SCHEMBL8904725 0.78 HDAC3 (0.47) ALDH1A1GABBR2GABBR1TDP1SMN1; SMN2

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