SCHEMBL3673304

SCHEMBL3673304

COCc1cc(C(=O)C(C)(C)O)ccc1CO

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 2/20 0.40
PKM P14618 2/20 0.38
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 3/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
CYBB P04839 1/20 0.33
PRKCE Q02156 1/20 0.33
GCGR P47871 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL3667698 0.94 ACE2 (0.40) ACE2PKMMEN1ALDH1A1GAA
SCHEMBL3670792 0.92 MEN1 (0.36) ACE2PKMMEN1ALDH1A1GAA
SCHEMBL3671501 0.89 ACE2 (0.40) ACE2PKMCYBB
SCHEMBL3674798 0.88 ALDH1A1 (0.34) ACE2PKMMEN1ALDH1A1GAA
SCHEMBL3673889 0.88 ALDH1A1 (0.34) ACE2PKMMEN1ALDH1A1GAA
SCHEMBL3671819 0.88 ALDH1A1 (0.34) ACE2PKMMEN1ALDH1A1GAA
SCHEMBL3671847 0.87 ACE2 (0.45) ACE2PKMCYBB
SCHEMBL3672629 0.87 ACE2 (0.39) ACE2PKMCYBB
SCHEMBL3679218 0.84 ALDH1A1 (0.46) MEN1ALDH1A1GAAMAPTKMT2A
SCHEMBL3668232 0.84 ACE2 (0.43) ACE2PKMALDH1A1

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