SCHEMBL3679836

SCHEMBL3679836

CC(C)(O)C(=O)c1ccc(COC(=O)c2ccc(C(=O)OCc3ccc(C(=O)C(C)(C)O)cc3)c(C(=O)OCc3ccc(C(=O)C(C)(C)O)cc3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 7/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43
MAPT P10636 5/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.43
HPGD P15428 3/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40

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
SCHEMBL3668218 0.91 KMT2A (0.49) KMT2AMEN1ALDH1A1TSHRMAPK1
SCHEMBL3674301 0.87 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1TSHRMAPK1
SCHEMBL15197908 0.87 RAB9A (0.50) KMT2AALDH1A1TSHRMAPK1MAPT
SCHEMBL3676999 0.87 KMT2A (0.54) KMT2AMEN1ALDH1A1TSHRMAPK1
SCHEMBL3670930 0.87 KMT2A (0.62) KMT2AMEN1ALDH1A1TSHRMAPK1
SCHEMBL3673244 0.86 RAB9A (0.52) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL14700322 0.81 ALDH1A1 (0.44) KMT2AALDH1A1TSHRMAPK1MAPT
SCHEMBL2580214 0.79 TDP1 (0.66) KMT2AMEN1ALDH1A1TSHRMAPK1
SCHEMBL3366744 0.79 EGFR (0.49) KMT2AMEN1ALDH1A1TSHRMAPK1
SCHEMBL3676951 0.77 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1TSHRMAPK1

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