SCHEMBL3979952

SCHEMBL3979952

CC(C)(O)C(=O)c1ccc([CH]c2ccc(C(=O)C(C)(C)O)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.38
ALDH1A1 P00352 4/20 0.35
MAPT P10636 4/20 0.35
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.35
MITF O75030 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
CYP1A2 P05177 1/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA1 P00915 1/20 0.34
MLYCD O95822 1/20 0.34
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL11298330 0.86 CA2 (0.46) CA2ALDH1A1SMN1; SMN2MLYCDTP53
SCHEMBL3676731 0.85 ALDH1A1 (0.54) CA2ALDH1A1MLYCDHSD17B10EPHX2
SCHEMBL803878 0.83 ALDH1A1 (0.44) CA2ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL6257475 0.82 TP53 (0.39) CA2ALDH1A1MAPTSMN1; SMN2TDP1
SCHEMBL4419639 0.79 ALDH1A1 (0.50) CA2ALDH1A1MAPTHPGDHTT
SCHEMBL10943093 0.79 CES2 (0.50) CA2
SCHEMBL15251658 0.79 RXRA (0.44) CA2MAPTSMN1; SMN2L3MBTL1CA1
SCHEMBL14845141 0.77 TSHR (0.57) CA2ALDH1A1SMN1; SMN2HPGDCA1
SCHEMBL10701118 0.77 CA2 (0.41) CA2ALDH1A1SMN1; SMN2MLYCDTP53
SCHEMBL129749 0.77 ESR1 (0.50) CA2MAPTHPGDCA1CYP3A4

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620475-B1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS BASF SE (DE) 2009-11-11 EP claimed
US-7462650-B2 Trifunctional photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-12-09 US claimed
US-20060270748-A1 Novel trifunctional photoinitiators IGM GROUP B.V. (NL) 2006-11-30 US claimed
JP-2006525399-A 2006-11-09 JP claimed
EP-1620475-A1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS Ciba SC Holding AG (CH) 2006-02-01 EP claimed
WO-2004099262-A1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-11-18 WO claimed
EP-1620475-B1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS BASF SE (DE) 2009-11-11 EP disclosed
WO-2009050116-A2 ADHESION PROMOTING PHOTOINITIATORS FOR UV CURED COATINGS OVER METAL SURFACES BASF SE (DE) 2009-04-23 WO disclosed
US-7462650-B2 Trifunctional photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-12-09 US disclosed
US-20060270748-A1 Novel trifunctional photoinitiators IGM GROUP B.V. (NL) 2006-11-30 US disclosed
EP-1620475-A1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS Ciba SC Holding AG (CH) 2006-02-01 EP disclosed
WO-2004099262-A1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-11-18 WO disclosed