SCHEMBL2727312

SCHEMBL2727312

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 3/20 0.42
ZDHHC2 Q9UIJ5 2/20 0.42
TSHR P16473 3/20 0.40
ALDH1A1 P00352 3/20 0.40
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
HPGD P15428 2/20 0.35
MAPK1 P28482 1/20 0.33
FAAH O00519 1/20 0.31
THRB P10828 1/20 0.31
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL377343 0.89 ZDHHC20 (0.39) ZDHHC20ZDHHC2TSHRALDH1A1CA12
SCHEMBL27619106 0.87 ZDHHC20 (0.38) ZDHHC20ZDHHC2TSHRALDH1A1CA12
SCHEMBL10664833 0.86 ZDHHC20 (0.47) ZDHHC20ZDHHC2TSHRALDH1A1CA12
SCHEMBL14094165 0.85 ZDHHC20 (0.37) ZDHHC20ZDHHC2TSHRALDH1A1CA12
SCHEMBL25108824 0.82 ZDHHC20 (0.57) ZDHHC20ZDHHC2TSHRALDH1A1HPGD
SCHEMBL10657941 0.82 ZDHHC20 (0.57) ZDHHC20ZDHHC2TSHRALDH1A1HPGD
SCHEMBL7647635 0.82 ZDHHC20 (0.57) ZDHHC20ZDHHC2TSHRALDH1A1HPGD
SCHEMBL372729 0.82 ZDHHC20 (0.57) ZDHHC20ZDHHC2TSHRALDH1A1HPGD
SCHEMBL27553045 0.82 TSHR (0.36) ZDHHC20ZDHHC2TSHRALDH1A1HPGD
SCHEMBL8536445 0.81

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 25 patents — showing the first 20. 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-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
EP-1956033-B1 Acrylimides with initiator characteristics MONDI RELEASE LINER AUSTRIA GM (AT) 2009-05-06 EP disclosed
EP-1956033-A1 Acrylimides with initiator characteristics Mondi Release Liner Austria GmbH (AT) 2008-08-13 EP disclosed
WO-2008043518-A1 DENTAL ADHESIVE COMPOSITION DENTSPLY DE TREY GMBH (DE) 2008-04-17 WO disclosed
WO-2008006489-A1 TOTAL ETCH DENTAL ADHESIVE COMPOSITION DENTSPLY DE TREY GMBH (DE) 2008-01-17 WO disclosed
US-4785064-A URETHANE ACRYLATE AND POLYACRYLATE ESTER MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-11-15 US disclosed
US-4650845-A SHRINKAGE-INHIBITED OPTICAL CASTINGS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1987-03-17 US disclosed
EP-0168226-A2 Ultra-violet light curable compositions for abrasion resistant articles MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1986-01-15 EP disclosed