SCHEMBL8770931

SCHEMBL8770931

O=C(O)CC(O)c1ccc(Br)c(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
KDM4E B2RXH2 2/20 0.36
BLM P54132 2/20 0.36
PMP22 Q01453 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
THPO P40225 1/20 0.36
RECQL P46063 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL14580262 0.80 KMT2A (0.46) BLMLMNATSHRNFKB1POLB
SCHEMBL8770914 0.80 L3MBTL1 (0.43) L3MBTL1POLBMAPT
SCHEMBL8770912 0.79 KMT2A (0.42) L3MBTL1
SCHEMBL8770916 0.77 ALDH1A1 (0.42) L3MBTL1KDM4ELMNATSHRMAPK1
SCHEMBL8771264 0.76 CTSA (0.51) L3MBTL1
SCHEMBL8129104 0.76 CYP3A4 (0.35) KDM4EBLMPMP22LMNATSHR
SCHEMBL8770886 0.76 L3MBTL1 (0.38) L3MBTL1LMNAHIF1A
SCHEMBL11141488 0.76 TDP1 (0.60) L3MBTL1KDM4EBLMPMP22LMNA
SCHEMBL14640249 0.76 TDP1 (0.60) L3MBTL1KDM4EBLMPMP22LMNA
SCHEMBL8771212 0.76 KMO (0.49) LMNATSHR

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