SCHEMBL8770896

SCHEMBL8770896

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

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
CTSA P10619 1/20 0.39
MAPT P10636 1/20 0.38
KCNA5 P22460 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
SCHEMBL28778783 0.86 KCNA5 (0.42) CTSBCTSSCTSKCTSAKCNA5
SCHEMBL29728624 0.86 KCNA5 (0.42) CTSBCTSSCTSKCTSAKCNA5
SCHEMBL8770901 0.85 CYP2D6 (0.38)
SCHEMBL8770921 0.84 KCNA5 (0.50) L3MBTL1KCNA5
SCHEMBL16115633 0.83 CTSA (0.40) CTSBCTSSCTSKCTSAKCNA5
SCHEMBL8770902 0.83 L3MBTL1 (0.43) L3MBTL1
SCHEMBL8770988 0.83 CES2 (0.43) L3MBTL1CTSSCTSKMAPT
SCHEMBL8770939 0.82 NPC1 (0.39) CTSSCTSK
SCHEMBL8770863 0.82 L3MBTL1 (0.66) L3MBTL1
SCHEMBL28857505 0.82 RIPK1 (0.51) L3MBTL1CTSSCTSKMAPT

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