SCHEMBL3673743

SCHEMBL3673743

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 9/20 0.39
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NR1H4 Q96RI1 2/20 0.34
CYP2C9 P11712 1/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
USP5 P45974 1/20 0.33
ALOX5 P09917 1/20 0.32
CYP1A2 P05177 1/20 0.32
CES1 P23141 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
SCHEMBL27625184 0.85 MLYCD (0.38) MLYCDHDAC1HDAC8HDAC6NR1H4
SCHEMBL4416120 0.82 MLYCD (0.34) MLYCDHDAC1HDAC8HDAC6NR1H4
SCHEMBL3669531 0.82 MLYCD (0.34) MLYCDHDAC1HDAC8HDAC6NR1H4
SCHEMBL725519 0.76 CES2 (0.54) HDAC1HDAC8HDAC6LMNAMEN1
SCHEMBL27625178 0.74 MLYCD (0.36) MLYCDHDAC1HDAC8HDAC6NR1H4
SCHEMBL31455691 0.74 CA1 (0.52) MEN1KMT2AALDH1A1
SCHEMBL10799733 0.74 MAPT (0.47) HDAC1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL11855652 0.73 MLYCD (0.38) MLYCDHDAC1HDAC8HDAC6NR1H4
SCHEMBL480373 0.72 GSK3B (0.35) MLYCDHDAC1HDAC8HDAC6NR1H4
SCHEMBL27645545 0.72 GSK3B (0.35) MLYCDHDAC1HDAC8HDAC6NR1H4

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 10 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-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-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
US-20070240609-A1 Photoinitiators IGM GROUP B.V. (NL) 2007-10-18 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-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