SCHEMBL3266739

SCHEMBL3266739

C=C(C)C(=O)OOc1ccc(C[C@H](N)C(N)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
PTPN1 P18031 1/20 0.39
SLC7A5 Q01650 2/20 0.37
LDHA P00338 1/20 0.36
ALPI P09923 1/20 0.36
PKM P14618 1/20 0.36
PTGS1 P23219 1/20 0.36
XIAP P98170 1/20 0.36
EPHX1 P07099 3/20 0.36
TPH1 P17752 3/20 0.35
SLC6A4 P31645 1/20 0.35
DPP4 P27487 1/20 0.34
FAP Q12884 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 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
SCHEMBL5841274 0.89 ITGB3 (0.53) ITGB3ITGA2BPTPN1SLC7A5LDHA
SCHEMBL1426484 0.89 ITGB3 (0.53) ITGB3ITGA2BPTPN1SLC7A5LDHA
SCHEMBL2784799 0.85 ELANE (0.48) ITGB3ITGA2BPTPN1SLC7A5LDHA
SCHEMBL2785022 0.85 ELANE (0.48) ITGB3ITGA2BPTPN1SLC7A5LDHA
SCHEMBL3357448 0.77 LDHA (0.61) LDHAEPHX1TPH1SLC6A4DPP4
SCHEMBL1587128 0.77 LDHA (0.61) LDHAEPHX1TPH1SLC6A4DPP4
SCHEMBL1587131 0.77 LDHA (0.61) LDHAEPHX1TPH1SLC6A4DPP4
SCHEMBL29543137 0.75 POLB (0.49) ITGB3ITGA2BPTPN1SLC7A5LDHA
Hydrochloric Acid SCHEMBL14909353 0.75 LDHA (0.59) LDHAEPHX1TPH1SLC6A4DPP4
SCHEMBL1018596 0.75 SLC7A5 (0.49) ITGB3ITGA2BPTPN1SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0694298-B1 PREFORMED GLASS IONOMER FILLER WHICH CAN SUSTAINEDLY RELEASE FLUORIDE ION AND DENTAL COMPOSITION CONTAINING THE SAME SHOFU INC (JP) 2010-06-09 EP disclosed
EP-1532958-B1 Dental surface coating material G C DENTAL IND CORP (JP) 2009-03-04 EP disclosed
EP-1532958-A1 Photopolymerization type dental surface coating material GC Corporation (JP) 2005-05-25 EP disclosed
US-5883153-A SUSTAINED RELEASE GLASS IONOMERS SHOFU INC. (JP) 1999-03-16 US disclosed
EP-0694298-A1 PREFORMED GLASS IONOMER FILLER WHICH CAN SUSTAINEDLY RELEASE FLUORIDE ION AND DENTAL COMPOSITION CONTAINING THE SAME SHOFU INC. (JP) 1996-01-31 EP disclosed
US-5264513-A Dental adhesive KABUSHIKI KAISHA SHOFU (JP) 1993-11-23 US disclosed