SCHEMBL3671847

SCHEMBL3671847

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 3/20 0.45
PKM P14618 1/20 0.44
ACHE P22303 1/20 0.35
EPHX2 P34913 2/20 0.35
KLF10 Q13118 1/20 0.34
MLYCD O95822 3/20 0.34
CTNNB1 P35222 1/20 0.31
CYBB P04839 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31

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
SCHEMBL3668232 0.93 ACE2 (0.43) ACE2PKMACHEEPHX2KLF10
SCHEMBL3672629 0.89 ACE2 (0.39) ACE2PKMEPHX2CYBB
SCHEMBL3677422 0.89 ACE2 (0.40) ACE2PKMACHEEPHX2KLF10
SCHEMBL3671501 0.89 ACE2 (0.40) ACE2PKMACHEEPHX2MLYCD
SCHEMBL3676655 0.89 ALDH1A1 (0.43) ACE2PKM
SCHEMBL3667698 0.87 ACE2 (0.40) ACE2PKMEPHX2MLYCDCYBB
SCHEMBL3673792 0.87 ALDH1A1 (0.42) ACE2PKM
SCHEMBL3673304 0.87 ACE2 (0.40) ACE2PKMCYBB
SCHEMBL3669475 0.86 ACE2 (0.43) ACE2PKMACHEEPHX2KLF10
SCHEMBL3676253 0.86 PKM (0.46) ACE2PKMEPHX2KLF10

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
US-7642296-B2 2-hydroxy-1-(4-hydroxymethyl-phenyl)-2-methyl-propan-1-one, have higher reactivity at the benzylic hydroxy group and do not have a tendency to yellowing; photocurable composition for pigmented or non-pigmented varnish surface coatings CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-01-05 US disclosed
US-20070240609-A1 Photoinitiators IGM GROUP B.V. (NL) 2007-10-18 US disclosed
EP-1763499-B1 NEW PHOTOINITIATORS CIBA SC HOLDING AG (CH) 2007-09-26 EP disclosed