SCHEMBL3673244

SCHEMBL3673244

CC(C)(O)C(=O)c1ccc(COC(=O)c2cccc(C(=O)OCc3ccc(C(=O)C(C)(C)O)cc3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.52
NPC1 O15118 5/20 0.52
KMT2A Q03164 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
HTT P42858 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44

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
SCHEMBL3676999 0.92 KMT2A (0.54) RAB9ANPC1KMT2ATDP1SLC6A2
SCHEMBL3670930 0.89 KMT2A (0.62) RAB9ANPC1KMT2ATDP1SLC6A2
SCHEMBL3679836 0.86 KMT2A (0.47) RAB9ANPC1KMT2ATDP1SLC6A2
SCHEMBL14700306 0.85 PRKCA (0.56) RAB9ANPC1KMT2ATDP1SLC6A2
SCHEMBL14700291 0.85 MAPT (0.56) RAB9ANPC1KMT2ATDP1SLC6A2
SCHEMBL3668218 0.85 KMT2A (0.49) RAB9ANPC1KMT2ATDP1SLC6A2
SCHEMBL3674301 0.84 ALDH1A1 (0.55) RAB9AKMT2ATDP1SLC6A2SLC6A3
SCHEMBL6669799 0.82 TDP1 (0.60) RAB9ANPC1KMT2ATDP1SLC6A2
SCHEMBL15197919 0.82 PRKCA (0.52) RAB9ANPC1KMT2ATDP1SLC6A2
SCHEMBL15197908 0.81 RAB9A (0.50) RAB9ANPC1KMT2ATDP1SLC6A2

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