SCHEMBL3672659

SCHEMBL3672659

CC(C)(O)C(=O)c1ccc(COCCOCCOCCO)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
RXRA P19793 2/20 0.35
RXRB P28702 2/20 0.35
NR4A2 P43354 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
S1PR1 P21453 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLCO1B3 Q9NPD5 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
SCHEMBL3673267 1.00 ALDH1A1 (0.39) ALDH1A1PTPN2PTPN1PTPN6PPARG
SCHEMBL3669448 1.00 ALDH1A1 (0.39) ALDH1A1PTPN2PTPN1PTPN6PPARG
SCHEMBL17324191 0.97 ALDH1A1 (0.41) ALDH1A1PTPN2PTPN1PTPN6PPARG
SCHEMBL3729865 0.94 ALDH1A1 (0.42) ALDH1A1PTPN2PTPN1PTPN6PPARG
SCHEMBL3671829 0.94 ALDH1A1 (0.42) ALDH1A1PTPN2PTPN1PTPN6PPARG
SCHEMBL3674901 0.94 ALDH1A1 (0.42) ALDH1A1PTPN2PTPN1PTPN6PPARG
SCHEMBL5569738 0.94 ALDH1A1 (0.42) ALDH1A1PTPN2PTPN1PTPN6PPARG
SCHEMBL3674933 0.94 ALDH1A1 (0.42) ALDH1A1PTPN2PTPN1PTPN6PPARG
SCHEMBL3669491 0.94 ALDH1A1 (0.42) ALDH1A1PTPN2PTPN1PTPN6PPARG
SCHEMBL5606464 0.93 CES2 (0.36) ALDH1A1PTPN2PTPN1PTPN6PPARG

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