SCHEMBL3671428

SCHEMBL3671428

CC(C)(O)C(=O)c1ccc(COCCCCCCCCCCCCCCCCCCOCc2ccc(C(=O)C(C)(C)O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.44
HRH3 Q9Y5N1 1/20 0.42
PLA2G4B P0C869 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
GAA P10253 1/20 0.38
RXRA P19793 2/20 0.37
RXRB P28702 2/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
NR4A2 P43354 1/20 0.37
EPHX2 P34913 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
RXRG P48443 1/20 0.35
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35

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
SCHEMBL3672600 1.00 L3MBTL1 (0.44) L3MBTL1HRH3PLA2G4BALDH1A1TDP1
SCHEMBL3669292 0.91 PLA2G4B (0.45) L3MBTL1HRH3PLA2G4BALDH1A1TDP1
SCHEMBL3729865 0.90 ALDH1A1 (0.42) HRH3ALDH1A1RXRARXRBPPARG
SCHEMBL3674901 0.90 ALDH1A1 (0.42) HRH3ALDH1A1RXRARXRBPPARG
SCHEMBL5569738 0.90 ALDH1A1 (0.42) HRH3ALDH1A1RXRARXRBPPARG
SCHEMBL3671829 0.90 ALDH1A1 (0.42) HRH3ALDH1A1RXRARXRBPPARG
SCHEMBL3669491 0.90 ALDH1A1 (0.42) HRH3ALDH1A1RXRARXRBPPARG
SCHEMBL3674933 0.90 ALDH1A1 (0.42) HRH3ALDH1A1RXRARXRBPPARG
SCHEMBL3670889 0.88 ALDH1A1 (0.46) ALDH1A1RXRARXRBPPARGPPARA
SCHEMBL278995 0.88 ALDH1A1 (0.46) ALDH1A1RXRARXRBPPARGPPARA

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