SCHEMBL3676951

SCHEMBL3676951

CC(=O)OCc1ccc(C(=O)C(C)(C)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 3/20 0.39
KDM4E B2RXH2 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 2/20 0.39
NR4A2 P43354 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
MAOB P27338 3/20 0.38
LMNA P02545 1/20 0.38
MAOA P21397 1/20 0.37

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
SCHEMBL11701842 0.88 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ACYP3A4MAPT
SCHEMBL3670930 0.86 KMT2A (0.62) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL3671959 0.85 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL3677449 0.85 RAB9A (0.45) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL278995 0.84 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTNR4A2
SCHEMBL3670889 0.84 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTNR4A2
SCHEMBL3676999 0.83 KMT2A (0.54) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL3677676 0.83 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL3668203 0.82 RXRA (0.41) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL3668218 0.82 KMT2A (0.49) ALDH1A1MEN1KMT2ACYP3A4MAPT

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 7 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
CN-100548955-C photoinitiator CIBA SC HOLDING AG (CH) 2009-10-14 CN 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
CN-1942424-A Novel photoinitiators CIBA SC HOLDING AG (CH) 2007-04-04 CN 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