SCHEMBL727286

SCHEMBL727286

CC(C)(C(=O)c1ccc(OCCO)cc1)N1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.64
ALDH1A1 P00352 5/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
GAA P10253 2/20 0.50
POLB P06746 3/20 0.49
KDM4E B2RXH2 1/20 0.49
RAB9A P51151 1/20 0.48
THRB P10828 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
THRA P10827 1/20 0.46
FKBP1A P62942 2/20 0.45
USP2 O75604 1/20 0.45
HPGD P15428 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 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
SCHEMBL8176206 0.94 HRH3 (0.66) HRH3ALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL10456895 0.93 HRH3 (0.68) HRH3ALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL18883165 0.93 ALDH1A1 (0.60) HRH3ALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL10456891 0.92 HRH3 (0.70) HRH3ALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL28626879 0.92 HRH3 (0.57) HRH3ALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL28731828 0.88 HRH3 (0.63) HRH3ALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL932075 0.88 HRH3 (0.66) HRH3ALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL10458536 0.88 ALDH1A1 (0.62) HRH3ALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL8182732 0.87 HRH3 (0.65) HRH3ALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL8175825 0.87 HRH3 (0.65) HRH3ALDH1A1SMN1; SMN2TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114478436-B Alpha-aminoketone photoinitiator modified by containing polymerizable itaconic acid group, and preparation method and application thereof 浙江扬帆新材料股份有限公司 2024-04-30 CN disclosed
CN-114478436-A Polymerizable itaconic acid group-containing modified alpha-aminoketone photoinitiator and preparation method and application thereof 浙江扬帆新材料股份有限公司 2022-05-13 CN disclosed
EP-2585431-B1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2017-09-06 EP disclosed
EP-2585431-B1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2017-09-06 EP disclosed
US-9657435-B2 Metal free bleaching composition BASF SE (DE) 2017-05-23 US disclosed
US-9657435-B2 Metal free bleaching composition BASF SE (DE) 2017-05-23 US disclosed
US-9657435-B2 Metal free bleaching composition BASF SE (DE) 2017-05-23 US disclosed
US-20130117941-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2013-05-16 US disclosed
US-20130117941-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2013-05-16 US disclosed
US-20130117941-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2013-05-16 US disclosed
EP-0800657-B1 POLYMERS BASED ON BLOCK COPOLYMERS NOVARTIS AG (CH) 1998-11-25 EP disclosed
EP-0800511-A1 FUNCTIONALISED PHOTOINITIATORS, DERIVATIVES AND MACROMERS THEREFROM AND THEIR USE Novartis AG (CH) 1997-10-15 EP disclosed
EP-0800657-A1 POLYMERS BASED ON BLOCK COPOLYMERS Novartis AG (CH) 1997-10-15 EP disclosed
EP-0793541-A1 NCO-TERMINATED VINYL TELOMERS Novartis AG (CH) 1997-09-10 EP disclosed
WO-1996020795-A1 NCO-TERMINATED VINYL TELOMERS NOVARTIS AG (CH) 1996-07-11 WO disclosed
WO-1996020919-A1 FUNCTIONALISED PHOTOINITIATORS, DERIVATIVES AND MACROMERS THEREFROM AND THEIR USE NOVARTIS AG (CH) 1996-07-11 WO disclosed
WO-1996020796-A1 PROCESS FOR THE FUNCTIONALISATION OF SURFACES NOVARTIS AG (CH) 1996-07-11 WO disclosed
WO-1996021167-A1 POLYMERS BASED ON BLOCK COPOLYMERS NOVARTIS AG (CH) 1996-07-11 WO disclosed
US-5145885-A Morpholine compound, binders CIBA-GEIGY CORPORATION (US) 1992-09-08 US disclosed
US-4992547-A Aminoaryl ketone photoinitiators CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed