SCHEMBL3676681

SCHEMBL3676681

CC(C)(O)C(=O)c1ccc(COCCN(CCO)CCOCc2ccc(C(=O)C(C)(C)O)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
RXRG P48443 1/20 0.36
ALDH1A1 P00352 2/20 0.35
NR4A2 P43354 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
ACHE P22303 1/20 0.34
CHRM3 P20309 2/20 0.33
ESRRG P62508 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 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
SCHEMBL17324191 0.86 ALDH1A1 (0.41) RXRARXRBRXRGALDH1A1NR4A2
SCHEMBL3671276 0.85 ESRRG (0.38) RXRARXRBRXRGALDH1A1NR4A2
SCHEMBL278995 0.84 ALDH1A1 (0.46) RXRARXRBRXRGALDH1A1NR4A2
SCHEMBL3670889 0.84 ALDH1A1 (0.46) RXRARXRBRXRGALDH1A1NR4A2
SCHEMBL3669448 0.83 ALDH1A1 (0.39) RXRARXRBRXRGALDH1A1NR4A2
SCHEMBL3673267 0.83 ALDH1A1 (0.39) RXRARXRBRXRGALDH1A1NR4A2
SCHEMBL3672659 0.83 ALDH1A1 (0.39) RXRARXRBRXRGALDH1A1NR4A2
SCHEMBL3674901 0.82 ALDH1A1 (0.42) RXRARXRBRXRGALDH1A1NR4A2
SCHEMBL3669491 0.82 ALDH1A1 (0.42) RXRARXRBRXRGALDH1A1NR4A2
SCHEMBL3674933 0.82 ALDH1A1 (0.42) RXRARXRBRXRGALDH1A1NR4A2

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