SCHEMBL8771019

SCHEMBL8771019

COC(=O)CC(O)c1cc(Br)cc(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CYP1A2 P05177 1/20 0.36
ATM Q13315 1/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
HSP90AB1 P08238 1/20 0.34

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
SCHEMBL8770921 0.83 KCNA5 (0.50) KCNA5L3MBTL1
SCHEMBL8771047 0.83 GPR35 (0.39) MEN1KMT2APOLBCYP1A2HPGD
SCHEMBL8770907 0.82 MEN1 (0.48) MEN1KMT2APOLBL3MBTL1CYP1A2
SCHEMBL28823648 0.82 MEN1 (0.48) MEN1KMT2APOLBL3MBTL1CYP1A2
SCHEMBL8770901 0.81 CYP2D6 (0.38) POLBHPGDALDH1A1
SCHEMBL24036698 0.81 KCNA5 (0.37) KCNA5MEN1KMT2APOLBL3MBTL1
SCHEMBL25623852 0.81 KCNA5 (0.37) KCNA5MEN1KMT2APOLBL3MBTL1
SCHEMBL4453208 0.79 MAPT (0.44) L3MBTL1MAPTRAB9AALDH1A1HTT
SCHEMBL4453212 0.79 MAPT (0.44) L3MBTL1MAPTRAB9AALDH1A1HTT
SCHEMBL8770904 0.79 L3MBTL1 (0.46) MEN1KMT2AL3MBTL1MAPTRAB9A

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