SCHEMBL3674798

SCHEMBL3674798

COCc1cc(C(=O)C(C)(C)O)ccc1COCc1ccc(C(=O)C(C)(C)O)cc1COC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
POLB P06746 2/20 0.33
PRKCE Q02156 1/20 0.33
MAPK1 P28482 1/20 0.33
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
GCGR P47871 1/20 0.32
ACE2 Q9BYF1 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PKM P14618 1/20 0.31
HTR7 P34969 1/20 0.31
HTR2B P41595 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
MLYCD O95822 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
SCHEMBL3671819 1.00 ALDH1A1 (0.34) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL3673889 1.00 ALDH1A1 (0.34) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL3670792 0.95 MEN1 (0.36) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL3667698 0.88 ACE2 (0.40) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL3673304 0.88 ACE2 (0.40) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL3675000 0.88 CA12 (0.35) MAPK1S1PR1S1PR3ACE2MLYCD
SCHEMBL3672629 0.87 ACE2 (0.39) MAPK1S1PR1S1PR3ACE2PKM
SCHEMBL3671501 0.86 ACE2 (0.40) MAPK1ACE2PKMMLYCDTSHR
SCHEMBL3677422 0.86 ACE2 (0.40) MAPK1S1PR1S1PR3ACE2PKM
SCHEMBL3675044 0.85 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2AGAA

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