SCHEMBL2728066

SCHEMBL2728066

C=CC(=O)N(CC(C)CC)C(=O)C=C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
ALDH1A1 P00352 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31

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
SCHEMBL4371193 0.83 ZDHHC20 (0.38) TSHRALDH1A1ZDHHC20ZDHHC2
SCHEMBL8983818 0.77 TSHR (0.33) TSHRALDH1A1
SCHEMBL5489834 0.72 TSHR (0.43) TSHRALDH1A1ZDHHC20ZDHHC2
SCHEMBL13862580 0.72 TSHR (0.53) TSHRALDH1A1ZDHHC20ZDHHC2
SCHEMBL429457 0.70 TSHR (0.42) TSHRALDH1A1ZDHHC20ZDHHC2
SCHEMBL2727312 0.69 ZDHHC20 (0.42) TSHRALDH1A1ZDHHC20ZDHHC2
SCHEMBL26497601 0.68 ZDHHC20 (0.40) TSHRALDH1A1ZDHHC20ZDHHC2
SCHEMBL26496068 0.68 ZDHHC20 (0.40) TSHRALDH1A1ZDHHC20ZDHHC2
SCHEMBL4732343 0.68 TSHR (0.41) TSHRALDH1A1ZDHHC20ZDHHC2
SCHEMBL157071 0.67 TSHR (0.39) TSHRALDH1A1ZDHHC20ZDHHC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3558212-A1 DIRECT DENTAL FILLING COMPOSITION Dentsply DeTrey GmbH (DE) 2019-10-30 EP disclosed
WO-2019173656-A1 DENTAL COMPOSITION DENTSPLY SIRONA INC. (US) 2019-09-12 WO disclosed
WO-2019072787-A1 PHOTOCURABLE DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2019-04-18 WO disclosed
WO-2018114540-A1 DIRECT DENTAL FILLING COMPOSITION DENTSPLY DETREY GMBH (DE) 2018-06-28 WO disclosed
EP-3307229-A1 AQUEOUS DENTAL GLASS IONOMER COMPOSITION Dentsply DeTrey GmbH (DE) 2018-04-18 EP disclosed
EP-3277248-A1 DENTAL COMPOSITION Dentsply DeTrey GmbH (DE) 2018-02-07 EP disclosed
WO-2017042333-A1 POLYMERIZABLE POLYACIDIC POLYMER DENTSPLY DETREY GMBH (DE) 2017-03-16 WO disclosed
WO-2016202744-A1 AQUEOUS DENTAL GLASS IONOMER COMPOSITION DENTSPLY DETREY GMBH (DE) 2016-12-22 WO disclosed
WO-2016156363-A1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2016-10-06 WO disclosed
EP-3068363-A1 DENTAL COMPOSITION Dentsply DeTrey GmbH (DE) 2016-09-21 EP disclosed
WO-2015067815-A1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2015-05-14 WO disclosed
WO-2014114446-A1 POLYMERIZABLE DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2014-07-31 WO disclosed
EP-2655427-A1 POLYMER FOR A GLASS IONOMER CEMENT Dentsply DeTrey GmbH (DE) 2013-10-30 EP disclosed
EP-2629741-A1 DENTAL COMPOSITION Dentsply DeTrey GmbH (DE) 2013-08-28 EP disclosed
EP-2629740-A1 DENTAL COMPOSITION Dentsply DeTrey GmbH (DE) 2013-08-28 EP disclosed
WO-2012119793-A2 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2012-09-13 WO disclosed
WO-2012084206-A1 POLYMER FOR A GLASS IONOMER CEMENT DENTSPLY DETREY GMBH (DE) 2012-06-28 WO disclosed
WO-2012052163-A1 DENTAL CEMENT COMPOSITION DENTSPLY DETREY GMBH (DE) 2012-04-26 WO disclosed
WO-2012052160-A1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2012-04-26 WO disclosed
WO-2012052161-A1 DENTAL COMPOSITION DENTSPLY DE TREY GMBH (DE) 2012-04-26 WO disclosed