SCHEMBL3669986

SCHEMBL3669986

COCc1ccc(C(=O)C(C)(C)N2CCOCC2)cc1COC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
HRH3 Q9Y5N1 1/20 0.44
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 2/20 0.37
ALOX15 P16050 1/20 0.37
MGLL Q99685 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
WNT3A P56704 1/20 0.37
KMT2A Q03164 4/20 0.37
GLA P06280 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
CNR2 P34972 2/20 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
SCHEMBL3677741 0.83 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL3672690 0.81 KMT2A (0.44) ALDH1A1SMN1; SMN2TSHRMAPK1KDM4E
SCHEMBL2319695 0.77 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2TSHRMAPK1HPGD
SCHEMBL9291268 0.76 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL3670792 0.76 MEN1 (0.36) ALDH1A1L3MBTL1KMT2AMEN1MAPT
SCHEMBL275396 0.75 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL9679519 0.75 SMN1; SMN2 (0.61) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL23805899 0.75 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL9681136 0.75 HPGD (0.62) ALDH1A1SMN1; SMN2TSHRMAPK1KDM4E
SCHEMBL10940747 0.74 SMN1; SMN2 (0.72) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3

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 10 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-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-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
US-20070240609-A1 Photoinitiators IGM GROUP B.V. (NL) 2007-10-18 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-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