SCHEMBL3679397

SCHEMBL3679397

Cc1ccc(C(=O)C(C)(C)Br)cc1CBr

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.35
HPGD P15428 4/20 0.35
CHRNA1 P02708 2/20 0.35
CHRNG P07510 2/20 0.35
CHRNB1 P11230 2/20 0.35
CHRNB2 P17787 2/20 0.35
SLC6A2 P23975 2/20 0.35
CHRNB4 P30926 2/20 0.35
SLC6A4 P31645 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA4 P43681 2/20 0.35
SLC6A3 Q01959 2/20 0.35
CHRND Q07001 2/20 0.35
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
POLB P06746 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
LMNA P02545 1/20 0.33
EPHX2 P34913 1/20 0.33
CES2 O00748 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
SCHEMBL3679193 0.86 EPHX2 (0.41) GSK3BHPGDCHRNA1CHRNGCHRNB1
SCHEMBL3670324 0.86 ACHE (0.35) GSK3BPOLBEPHX2CES2CES1
SCHEMBL16494602 0.82 HTT (0.48) GSK3BHPGDMAPTTDP1POLB
SCHEMBL7968434 0.80 MRGPRX4 (0.49) MAPTTDP1POLBMRGPRX4EPHX2
SCHEMBL3673203 0.79 ACE2 (0.33) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL30006284 0.79 PARP1 (0.44) SLC6A2SLC6A4SLC6A3MAPTTDP1
SCHEMBL17811367 0.76 ALDH1A1 (0.51) HPGDMAPTTDP1LMNAHTT
SCHEMBL11817090 0.75 PPARG (0.36) GSK3BPOLBCES2CES1PKM
SCHEMBL18502198 0.75 CA12 (0.56) HPGDMAPTPOLBLMNAHTT
SCHEMBL25552264 0.72 THRA (0.37) HPGDCHRNA1CHRNGCHRNB1CHRNB2

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