SCHEMBL3818548

SCHEMBL3818548

CC(OCC(O)CO)=C(C)C(=O)OP(=O)(O)OC(=O)C(C)=C(C)OCC(O)CO

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
DUSP3 P51452 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
DGKA P23743 1/20 0.33
SELP P16109 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FAAH O00519 2/20 0.31
LPAR6 P43657 1/20 0.31
LPAR1 Q92633 1/20 0.31
LPAR4 Q99677 1/20 0.31
LPAR5 Q9H1C0 1/20 0.31
LPAR2 Q9HBW0 1/20 0.31
LPAR3 Q9UBY5 1/20 0.31
ENPP2 Q13822 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
SCHEMBL242686 0.90 KDM4E (0.37) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL49333 0.80 LMNA (0.41) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL56316 0.75 LMNA (0.43) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL5795620 0.73 KDM4E (0.40) KDM4EDUSP3MEN1KMT2ALMNA
Phosphoric Acid SCHEMBL27651388 0.72 LMNA (0.43) KDM4EDUSP3MEN1KMT2ALMNA
Phosphoric Acid SCHEMBL16620209 0.71 TSHR (0.53) KDM4EDUSP3MEN1KMT2ALMNA
Phosphoric Acid SCHEMBL4988141 0.71 TSHR (0.53) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL20674 0.71 SMN1; SMN2 (0.38) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL1412771 0.70 LMNA (0.42) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL4572553 0.70 P2RY10 (0.43) KDM4EDUSP3MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1639987-B1 Dental adhesive composition 3M ESPE AG (DE) 2009-08-12 EP claimed
US-20060069181-A1 Dental adhesive composition 3M ESPE AG 2006-03-30 US claimed
EP-1639987-A1 Dental adhesive composition 3M Espe AG (DE) 2006-03-29 EP claimed