SCHEMBL3676253

SCHEMBL3676253

Cc1ccc(C(=O)C(C)(C)O)cc1CO

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
ACE2 Q9BYF1 1/20 0.40
S1PR1 P21453 1/20 0.35
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HPGD P15428 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
EPHX2 P34913 2/20 0.33
SHBG P04278 1/20 0.33
MAOB P27338 1/20 0.33
LMNA P02545 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
HSD17B1 P14061 1/20 0.33
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
KLF10 Q13118 1/20 0.33
CA2 P00918 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
SCHEMBL3669475 0.86 ACE2 (0.43) PKMACE2EPHX2LMNANR1H4
SCHEMBL3671847 0.86 ACE2 (0.45) PKMACE2EPHX2KLF10
SCHEMBL3674836 0.83 MRGPRX4 (0.41) S1PR1MAPTTDP1HPGDMRGPRX4
SCHEMBL3672300 0.83 EPHX2 (0.37) S1PR1HPGDMRGPRX4EPHX2NR1H4
SCHEMBL3668232 0.83 ACE2 (0.43) PKMACE2EPHX2HSD17B1KLF10
SCHEMBL3672838 0.81 PKM (0.41) PKMACE2EPHX2KLF10
SCHEMBL3677136 0.81 MRGPRX4 (0.39) S1PR1MAPTTDP1HPGDMRGPRX4
SCHEMBL7640361 0.80 SMN1; SMN2 (0.50) MAPTTDP1HPGDLMNANR1H4
SCHEMBL3671501 0.79 ACE2 (0.40) PKMACE2EPHX2
SCHEMBL3676655 0.79 ALDH1A1 (0.43) PKMACE2MAPTTDP1HTT

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