SCHEMBL566913

SCHEMBL566913

CSc1ccc(C(=O)CC(C)N2CCOCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
TSHR P16473 3/20 0.52
MAPK1 P28482 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
RAD52 P43351 1/20 0.49
HSD17B10 Q99714 2/20 0.49
HTT P42858 1/20 0.44
GSK3B P49841 1/20 0.40
LMNA P02545 1/20 0.40
HAO1 Q9UJM8 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 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
SCHEMBL30340782 0.85 HSD17B10 (0.52) ALDH1A1TSHRMAPK1SMN1; SMN2RAD52
SCHEMBL1696905 0.79 ALDH1A1 (0.56) ALDH1A1TSHRMAPK1SMN1; SMN2HTT
SCHEMBL29235961 0.77 ALDH1A1 (0.53) ALDH1A1TSHRMAPK1SMN1; SMN2HTT
SCHEMBL14384772 0.76 HSD17B10 (0.53) ALDH1A1SMN1; SMN2RAD52HSD17B10CYP2C19
SCHEMBL2319699 0.76 ALDH1A1 (0.56) ALDH1A1TSHRSMN1; SMN2HSD17B10HTT
SCHEMBL381975 0.76 TSHR (0.52) ALDH1A1TSHRMAPK1SMN1; SMN2HSD17B10
SCHEMBL1981087 0.76 SLC6A4 (0.49) ALDH1A1TSHRMAPK1SMN1; SMN2HTT
SCHEMBL9680392 0.75 ALDH1A1 (0.49) ALDH1A1TSHRMAPK1SMN1; SMN2HSD17B10
SCHEMBL28353818 0.75 ALDH1A1 (0.68) ALDH1A1TSHRMAPK1SMN1; SMN2HTT
SCHEMBL10848459 0.74 HAO1 (0.51) ALDH1A1LMNAHAO1MAPTKMT2A

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035292-A1 LIQUID PHOTOINITIATOR BLEND BASF SE (DE) 2012-02-09 US claimed
EP-2387589-B1 LIQUID PHOTOINITIATOR BLEND BASF SE (DE) 2015-09-23 EP disclosed
EP-2144900-B1 OXIME ESTER PHOTOINITIATORS BASF SE (DE) 2015-03-18 EP disclosed
US-8816211-B2 Articles with photocurable and photocured compositions EASTMAN KODAK COMPANY (US) 2014-08-26 US disclosed
US-8632858-B2 Methods of photocuring and imaging EASTMAN KODAK COMPANY (US) 2014-01-21 US disclosed
US-8586268-B2 Oxime ester photoinitiators BASF SE (DE) 2013-11-19 US disclosed
US-20130260053-A1 METHOD OF USING PHOTOCURABLE INKS QUALEX INC. 2013-10-03 US disclosed
US-20130260055-A1 METHODS OF USING PHOTOCURABLE INKS FPC INC. 2013-10-03 US disclosed
US-8524425-B2 Oxime ester photoinitiators BASF SE (DE) 2013-09-03 US disclosed
US-8426484-B2 Liquid photoinitiator blend BASF SE (DE) 2013-04-23 US disclosed
US-20060209098-A1 Radiation curable ink-jet ink containing an alpha hydroxy ketone as photoinitiator FUCHS ANDRE 2006-09-21 US disclosed
EP-1613706-A1 RADIATION CURABLE INK-JET INK CONTAINING AN ALPHA HYDROXY KETONE AS PHOTOINITIATOR Ciba SC Holding AG (CH) 2006-01-11 EP disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
US-20050096406-A1 Reactive diluents and alkyd resin coating compositions PRETOT ROGER (CH) 2005-05-05 US disclosed
EP-1480940-A2 REACTIVE DILUENTS AND ALKYD RESIN COATING COMPOSITIONS Ciba SC Holding AG (CH) 2004-12-01 EP disclosed
WO-2004092287-A1 RADIATION CURABLE INK-JET INK CONTAINING AN ALPHA HYDROXY KETONE AS PHOTOINITIATOR CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-10-28 WO disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed
WO-2003074466-A2 REACTIVE DILUENTS AND ALKYD RESIN COATING COMPOSITIONS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-09-12 WO disclosed
EP-1309599-A1 SURFACE-ACTIVE PHOTOINITIATORS Ciba SC Holding AG (CH) 2003-05-14 EP disclosed
WO-2002014326-A1 SURFACE-ACTIVE PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-02-21 WO disclosed