SCHEMBL3674301

SCHEMBL3674301

CC(C)(O)C(=O)c1ccc(COC(=O)c2ccccc2C(=O)OCc2ccc(C(=O)C(C)(C)O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
L3MBTL1 Q9Y468 4/20 0.52
NPSR1 Q6W5P4 3/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP1A2 P05177 1/20 0.52
TDP1 Q9NUW8 3/20 0.51
TSHR P16473 3/20 0.51
MAPK1 P28482 1/20 0.51
HPGD P15428 3/20 0.51
HTT P42858 3/20 0.51
MAPT P10636 3/20 0.51
LMNA P02545 3/20 0.49
KDM4E B2RXH2 2/20 0.49
KMT2A Q03164 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
MEN1 O00255 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45

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 0.89 KMT2A (0.49) ALDH1A1L3MBTL1NPSR1CYP3A4CYP2C9
SCHEMBL3670930 0.87 KMT2A (0.62) ALDH1A1NPSR1TDP1TSHRMAPK1
SCHEMBL3679836 0.87 KMT2A (0.47) ALDH1A1L3MBTL1NPSR1CYP3A4CYP2C9
SCHEMBL3676999 0.84 KMT2A (0.54) ALDH1A1NPSR1TDP1TSHRMAPK1
SCHEMBL14700270 0.84 ALDH1A1 (0.51) ALDH1A1L3MBTL1NPSR1CYP3A4CYP2C9
SCHEMBL3673244 0.84 RAB9A (0.52) ALDH1A1L3MBTL1CYP3A4CYP2C9CYP2C19
SCHEMBL3676951 0.81 ALDH1A1 (0.55) ALDH1A1NPSR1CYP3A4TSHRMAPK1
SCHEMBL14685979 0.80 ALDH1A1 (0.61) ALDH1A1L3MBTL1NPSR1CYP3A4CYP2C9
SCHEMBL3671959 0.80 ALDH1A1 (0.44) ALDH1A1L3MBTL1TSHRMAPK1HPGD
SCHEMBL3677449 0.80 RAB9A (0.45) ALDH1A1L3MBTL1MAPK1HPGDHTT

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