SCHEMBL3669531

SCHEMBL3669531

CC(C)(Br)C(=O)c1ccc(C(Br)Br)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 4/20 0.34
GSK3B P49841 2/20 0.33
NR1H4 Q96RI1 2/20 0.33
CA2 P00918 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC1 Q13547 2/20 0.32
CYP2C9 P11712 1/20 0.32
PGR P06401 1/20 0.32
AR P10275 1/20 0.32
NOTUM Q6P988 1/20 0.32
USP5 P45974 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
ELANE P08246 1/20 0.32

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
SCHEMBL27645545 0.88 GSK3B (0.35) MLYCDGSK3BNR1H4CA2ALDH1A1
SCHEMBL11679589 0.88 PGR (0.38) MLYCDGSK3BNR1H4CA2ALDH1A1
SCHEMBL4416120 0.88 MLYCD (0.34) MLYCDGSK3BNR1H4CA2ALDH1A1
SCHEMBL3671272 0.86 CA2 (0.36) MLYCDGSK3BNR1H4CA2ALDH1A1
SCHEMBL27625184 0.86 MLYCD (0.38) MLYCDGSK3BNR1H4CA2ALDH1A1
SCHEMBL3673743 0.82 MLYCD (0.39) MLYCDNR1H4ALDH1A1HDAC8HDAC6
SCHEMBL480373 0.76 GSK3B (0.35) MLYCDGSK3BNR1H4CA2ALDH1A1
SCHEMBL725519 0.76 CES2 (0.54) GSK3BCA2ALDH1A1HDAC8HDAC6
SCHEMBL727083 0.76 CA2 (0.55) GSK3BCA2ALDH1A1HDAC6HDAC1
SCHEMBL8519631 0.76 ESR1 (0.50) CA2TSHRHSD17B10ARCES2

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