SCHEMBL8770904

SCHEMBL8770904

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 0.41
TNF P01375 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GLA P06280 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 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
SCHEMBL8770895 0.83 ADRB3 (0.53) L3MBTL1MEN1KMT2AGLAADRB2
SCHEMBL13482971 0.83 ADRB3 (0.53) L3MBTL1MEN1KMT2AGLAADRB2
SCHEMBL30088535 0.83 ADRB3 (0.53) L3MBTL1MEN1KMT2AGLAADRB2
SCHEMBL8771001 0.83 ALDH1A1 (0.38) L3MBTL1MEN1ALDH1A1GAAKMT2A
SCHEMBL29697542 0.82 L3MBTL1 (0.47) L3MBTL1LMNAMAPTRAB9AGAA
SCHEMBL8770926 0.82 L3MBTL1 (0.47) L3MBTL1LMNAMAPTRAB9AGAA
SCHEMBL17282243 0.82 L3MBTL1 (0.46) L3MBTL1LMNATNFMAPTRAB9A
SCHEMBL8770893 0.81 APP (0.39)
SCHEMBL20154370 0.81 L3MBTL1 (0.45) L3MBTL1LMNATNFMAPTRAB9A
SCHEMBL6341030 0.81 L3MBTL1 (0.45) L3MBTL1LMNATNFMAPTRAB9A

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