SCHEMBL3678671

SCHEMBL3678671

COC(c1ccccc1)c1ccc(C(=O)C(C)(C)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.44
CHEK2 O96017 1/20 0.43
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
CES1 P23141 1/20 0.40
MLKL Q8NB16 2/20 0.40
KMT2A Q03164 3/20 0.40
SRD5A2 P31213 1/20 0.40
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ATM Q13315 1/20 0.37
CYP3A4 P08684 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
FASN P49327 1/20 0.36
OPRD1 P41143 1/20 0.36

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
SCHEMBL3088741 0.93 SRC (0.37) SRCCHEK2ESR1ESR2CES1
Methoxymethane SCHEMBL4418025 0.92 SRC (0.36) SRCCHEK2ESR1ESR2CES1
SCHEMBL4414918 0.88 CHEK2 (0.37) SRCCHEK2ESR1ESR2CES1
SCHEMBL3674923 0.81 SRD5A2 (0.47) SRCCHEK2CES1SRD5A2ALDH1A1
SCHEMBL14967091 0.81 SRD5A2 (0.57) CHEK2ESR1ESR2CES1MLKL
SCHEMBL4418465 0.81 MLYCD (0.36) SRCESR1ESR2CES1SRD5A2
SCHEMBL15648878 0.80 ESR1 (0.42) SRCESR1ESR2CES1SRD5A2
SCHEMBL14966639 0.79 ESR1 (0.47) CHEK2ESR1ESR2MLKLKMT2A
SCHEMBL4428575 0.79 SLC1A3 (0.40) ESR1ESR2KMT2AALDH1A1MEN1
SCHEMBL1409972 0.78 CYP2C9 (0.49) SRCCES1KMT2AALDH1A1MEN1

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