SCHEMBL3671501

SCHEMBL3671501

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

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 3/20 0.40
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.33
CYBB P04839 1/20 0.33
EPHX2 P34913 1/20 0.31
TSHR P16473 1/20 0.31
ACHE P22303 1/20 0.31
MLYCD O95822 1/20 0.31
ELANE P08246 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
SCHEMBL3672629 0.97 ACE2 (0.39) ACE2PKMMAPK1CYBBEPHX2
SCHEMBL3677422 0.94 ACE2 (0.40) ACE2PKMMAPK1CYBBEPHX2
SCHEMBL3673304 0.89 ACE2 (0.40) ACE2PKMCYBB
SCHEMBL3671847 0.89 ACE2 (0.45) ACE2PKMCYBBEPHX2ACHE
SCHEMBL3674798 0.86 ALDH1A1 (0.34) ACE2PKMMAPK1TSHRMLYCD
SCHEMBL3673889 0.86 ALDH1A1 (0.34) ACE2PKMMAPK1TSHRMLYCD
SCHEMBL3671819 0.86 ALDH1A1 (0.34) ACE2PKMMAPK1TSHRMLYCD
SCHEMBL3675000 0.86 CA12 (0.35) ACE2MAPK1TSHRACHEMLYCD
SCHEMBL3668232 0.85 ACE2 (0.43) ACE2PKMEPHX2ACHEMLYCD
SCHEMBL3667698 0.83 ACE2 (0.40) ACE2PKMCYBBEPHX2MLYCD

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