SCHEMBL3671272

SCHEMBL3671272

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.36
MLYCD O95822 5/20 0.33
NR1H4 Q96RI1 2/20 0.33
CYP2C9 P11712 2/20 0.32
GSK3B P49841 2/20 0.32
CYP2D6 P10635 1/20 0.32
HIF1A Q16665 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FASN P49327 1/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
SRC P12931 1/20 0.32
HDAC1 Q13547 1/20 0.32
HPGD P15428 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
SCHEMBL4418071 0.88 CA2 (0.36) CA2MLYCDNR1H4CYP2C9GSK3B
SCHEMBL3669531 0.86 MLYCD (0.34) CA2MLYCDNR1H4CYP2C9GSK3B
SCHEMBL11679589 0.86 PGR (0.38) CA2MLYCDNR1H4CYP2C9GSK3B
SCHEMBL11298330 0.82 CA2 (0.46) CA2MLYCDALDH1A1TSHRFASN
SCHEMBL27645545 0.82 GSK3B (0.35) CA2MLYCDNR1H4CYP2C9GSK3B
SCHEMBL54909 0.82 CYP2C9 (0.50) CYP2C9CYP2D6HIF1AALDH1A1HPGD
SCHEMBL3671849 0.82 CA2 (0.37) CA2MLYCDNR1H4CYP2C9CYP2D6
SCHEMBL480335 0.82 ELANE (0.47) CA2MLYCDNR1H4CYP2C9CYP2D6
SCHEMBL4197514 0.82 ESR1 (0.43) CA2MLYCDNR1H4CYP2C9CYP2D6
SCHEMBL537689 0.80 PTPN5 (0.38) CA2MLYCDNR1H4CYP2C9CYP2D6

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