SCHEMBL3672152

SCHEMBL3672152

Cc1cc(C(=O)C(C)(C)Br)ccc1C(Br)Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
KMT2A Q03164 1/20 0.42
CHRNA1 P02708 2/20 0.38
CHRNG P07510 2/20 0.38
CHRNB1 P11230 2/20 0.38
CHRNB2 P17787 2/20 0.38
SLC6A2 P23975 2/20 0.38
CHRNB4 P30926 2/20 0.38
SLC6A4 P31645 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA4 P43681 2/20 0.38
SLC6A3 Q01959 2/20 0.38
CHRND Q07001 2/20 0.38
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL16769481 0.80 TDP1 (0.64) GRM1TDP1MEN1CYP1A2KMT2A
SCHEMBL3673203 0.79 ACE2 (0.33) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL3679193 0.72 EPHX2 (0.41) CYP1A2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL3669531 0.72 MLYCD (0.34) CES2CES1HSD17B10TSHR
SCHEMBL3673147 0.71 GRM1 (0.41) GRM1TDP1MEN1CYP1A2KMT2A
SCHEMBL11677800 0.71 CHRNA1 (0.37) MEN1CYP1A2KMT2ACHRNA1CHRNG
SCHEMBL11679292 0.71 CHRNA1 (0.39) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL3679397 0.69 GSK3B (0.35) TDP1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL727083 0.69 CA2 (0.55) TDP1MEN1KMT2ACES2CES1
SCHEMBL11169003 0.68 SIRT1 (0.55) TDP1MAPTALOX15HSD17B10

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