SCHEMBL3672629

SCHEMBL3672629

CC(C)(O)C(=O)c1ccc(COCc2cc(C(=O)C(C)(C)O)ccc2CO)c(CO)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 3/20 0.39
PKM P14618 1/20 0.37
CYBB P04839 1/20 0.32
MAPK1 P28482 1/20 0.32
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
EPHX2 P34913 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL3671501 0.97 ACE2 (0.40) ACE2PKMCYBBMAPK1EPHX2
SCHEMBL3677422 0.97 ACE2 (0.40) ACE2PKMCYBBMAPK1S1PR1
SCHEMBL3671847 0.89 ACE2 (0.45) ACE2PKMCYBBEPHX2
SCHEMBL3667698 0.87 ACE2 (0.40) ACE2PKMCYBBEPHX2
SCHEMBL3673889 0.87 ALDH1A1 (0.34) ACE2PKMMAPK1S1PR1S1PR3
SCHEMBL3671819 0.87 ALDH1A1 (0.34) ACE2PKMMAPK1S1PR1S1PR3
SCHEMBL3674798 0.87 ALDH1A1 (0.34) ACE2PKMMAPK1S1PR1S1PR3
SCHEMBL3673304 0.87 ACE2 (0.40) ACE2PKMCYBB
SCHEMBL3675000 0.86 CA12 (0.35) ACE2MAPK1S1PR1S1PR3TSHR
SCHEMBL3668232 0.83 ACE2 (0.43) ACE2PKMEPHX2

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 5 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
EP-1763499-A1 NEW PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2007-03-21 EP disclosed
WO-2005100292-A1 NEW PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-10-27 WO disclosed