SCHEMBL3677449

SCHEMBL3677449

CC(C)(O)C(=O)c1ccc(COC(=O)CCC(=O)OCc2ccc(C(=O)C(C)(C)O)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
KMT2A Q03164 8/20 0.43
MEN1 O00255 5/20 0.43
MAPT P10636 5/20 0.42
ALDH1A1 P00352 5/20 0.41
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL3668172 0.94 KMT2A (0.41) RAB9AKMT2AMEN1MAPTALDH1A1
SCHEMBL5569719 0.92 KMT2A (0.40) RAB9AKMT2AMEN1MAPTALDH1A1
SCHEMBL3670798 0.92 KMT2A (0.40) RAB9AKMT2AMEN1MAPTALDH1A1
SCHEMBL3671959 0.90 ALDH1A1 (0.44) RAB9AKMT2AMEN1MAPTALDH1A1
SCHEMBL5568855 0.87 KMT2A (0.41) RAB9AKMT2AMEN1MAPTALDH1A1
SCHEMBL3673376 0.87 DGKA (0.45)
SCHEMBL3676951 0.85 ALDH1A1 (0.55) KMT2AMEN1MAPTALDH1A1MAPK1
SCHEMBL3670930 0.85 KMT2A (0.62) RAB9AKMT2AMEN1MAPTALDH1A1
SCHEMBL3673108 0.83 KMT2A (0.38) RAB9AKMT2AMEN1MAPTALDH1A1
SCHEMBL278995 0.82 ALDH1A1 (0.46) RAB9AKMT2AMEN1MAPTALDH1A1

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