SCHEMBL3667690

SCHEMBL3667690

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MLYCD O95822 4/20 0.35
CYP2C9 P11712 3/20 0.34
CYP2D6 P10635 1/20 0.34
HIF1A Q16665 1/20 0.34
CA2 P00918 1/20 0.34
NR1H4 Q96RI1 2/20 0.34
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP17A1 P05093 1/20 0.33
CYP2C19 P33261 1/20 0.33
SLC6A4 P31645 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL537689 0.85 PTPN5 (0.38) HDAC1HDAC8HDAC6MLYCDCYP2C9
SCHEMBL13457935 0.83 HDAC1 (0.38) HDAC1HDAC8HDAC6MLYCDCYP2C9
SCHEMBL480335 0.82 ELANE (0.47) HDAC1HDAC8HDAC6MLYCDCYP2C9
SCHEMBL54909 0.82 CYP2C9 (0.50) CYP2C9CYP2D6HIF1AALDH1A1HPGD
SCHEMBL3671849 0.82 CA2 (0.37) HDAC1HDAC8HDAC6MLYCDCYP2C9
SCHEMBL4197514 0.82 ESR1 (0.43) HDAC1HDAC8HDAC6MLYCDCYP2C9
SCHEMBL11298330 0.79 CA2 (0.46) HDAC1MLYCDCA2ALDH1A1TSHR
SCHEMBL29061558 0.79 ALDH1A1 (0.36) HDAC1HDAC8HDAC6MLYCDCYP2C9
SCHEMBL28552410 0.78 ALDH1A1 (0.46) HDAC1HDAC8HDAC6CYP2C9HIF1A
SCHEMBL10942936 0.78 CYP2C9 (0.46) CYP2C9CYP2D6HIF1AALDH1A1HPGD

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