SCHEMBL3674901

SCHEMBL3674901

CC(C)(O)C(=O)c1ccc(COCCOCCOCCOCCOCCOCCOCc2ccc(C(=O)C(C)(C)O)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
RXRA P19793 4/20 0.39
RXRB P28702 4/20 0.39
NR4A2 P43354 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
MAOB P27338 2/20 0.37
RXRG P48443 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PARP10 Q53GL7 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
SCHEMBL3674933 1.00 ALDH1A1 (0.42) ALDH1A1PTPN2PTPN1PTPN6RXRA
SCHEMBL3729865 1.00 ALDH1A1 (0.42) ALDH1A1PTPN2PTPN1PTPN6RXRA
SCHEMBL5569738 1.00 ALDH1A1 (0.42) ALDH1A1PTPN2PTPN1PTPN6RXRA
SCHEMBL3671829 1.00 ALDH1A1 (0.42) ALDH1A1PTPN2PTPN1PTPN6RXRA
SCHEMBL3669491 1.00 ALDH1A1 (0.42) ALDH1A1PTPN2PTPN1PTPN6RXRA
SCHEMBL3669448 0.94 ALDH1A1 (0.39) ALDH1A1PTPN2PTPN1PTPN6RXRA
SCHEMBL3673267 0.94 ALDH1A1 (0.39) ALDH1A1PTPN2PTPN1PTPN6RXRA
SCHEMBL3672659 0.94 ALDH1A1 (0.39) ALDH1A1PTPN2PTPN1PTPN6RXRA
SCHEMBL278995 0.91 ALDH1A1 (0.46) ALDH1A1RXRARXRBNR4A2PPARG
SCHEMBL3670889 0.91 ALDH1A1 (0.46) ALDH1A1RXRARXRBNR4A2PPARG

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