SCHEMBL687328

SCHEMBL687328

C=COCCCC/C=C(\C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.35
TBXAS1 P24557 1/20 0.34
CD81 P60033 1/20 0.33
CDC25A P30304 1/20 0.32
BACE1 P56817 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.30
LPAR2 Q9HBW0 1/20 0.30
LPAR3 Q9UBY5 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
SCHEMBL687330 1.00 EP300 (0.35) EP300TBXAS1CD81CDC25ABACE1
SCHEMBL2112671 0.98 EP300 (0.38) EP300TBXAS1CD81CDC25ABACE1
SCHEMBL2115014 0.98 EP300 (0.38) EP300TBXAS1CD81CDC25ABACE1
SCHEMBL2114655 0.95 CD81 (0.33) EP300TBXAS1CD81CDC25AALDH1A1
SCHEMBL5026154 0.87 CD81 (0.35) CD81BACE1
SCHEMBL829915 0.87 CD81 (0.35) CD81BACE1
SCHEMBL4914974 0.85 CD81 (0.31) CD81
SCHEMBL523128 0.83 ALDH1A1 (0.45) EP300TBXAS1CD81BACE1ALDH1A1
SCHEMBL9487570 0.83 ALDH1A1 (0.45) EP300TBXAS1CD81BACE1ALDH1A1
SCHEMBL22972968 0.81 ALDH1A1 (0.48) EP300TBXAS1CD81BACE1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1616899-B2 Novel photoreactive polymers AGFA GRAPHICS NV (BE) 2014-07-02 EP disclosed
EP-1591497-B1 Method to improve the quality of dispersion formulations AGFA GRAPHICS NV (BE) 2012-02-29 EP disclosed
US-7875698-B2 comprising dendritic polymer core of hyperbranched polyglycidol; for use in radiation curable varnishes, lacquers, printing inks, and inkjet inks AGFA GRAPHICS NV (BE) 2011-01-25 US disclosed
US-7795324-B2 Radiation curable compositions AGFA GRAPHICS, N.V. (BE) 2010-09-14 US disclosed
EP-1616897-B1 Novel polymeric co-initiators AGFA GRAPHICS NV (BE) 2010-03-31 EP disclosed
EP-1616899-B1 Novel photoreactive polymers AGFA GRAPHICS NV (BE) 2010-03-24 EP disclosed
EP-1674499-B1 Radiation curable compositions AGFA GRAPHICS NV (BE) 2009-12-16 EP disclosed
US-7575314-B2 Dotsize control fluid for radiation curable ink-jet printing process AGFA GRAPHICS, N.V. (BE) 2009-08-18 US disclosed
US-RE40847-E1 Ink compositions for ink jet printing AGFA-GEVAERT (BE) 2009-07-14 US disclosed
US-7538144-B2 Photoreactive polymers AGFA GRAPHICS, N.V. (BE) 2009-05-26 US disclosed
EP-1616921-A1 Novel radiation curable compositions Agfa-Gevaert (BE) 2006-01-18 EP disclosed
EP-1616920-A1 Novel polymeric initiators Agfa-Gevaert (BE) 2006-01-18 EP disclosed
EP-1616897-A1 Novel polymeric co-initiators Agfa-Gevaert (BE) 2006-01-18 EP disclosed
US-20050255254-A1 Method to improve the quality of dispersion formulations AGFA GRAPHICS NV (BE) 2005-11-17 US disclosed
EP-1591788-A1 Method to monitor the quality of dispersion formulations Agfa-Gevaert (BE) 2005-11-02 EP disclosed
EP-1591497-A1 Method to improve the quality of dispersion formulations Agfa-Gevaert (BE) 2005-11-02 EP disclosed
US-20050235740-A1 Method to improve the quality of dispersion formulations AGFA GRAPHICS NV (BE) 2005-10-27 US disclosed
EP-0997508-B1 New ink compositions for ink jet printing AGFA GEVAERT (BE) 2005-10-19 EP disclosed
US-6310115-B1 ULTRAVIOLET CURABLE INK CONSISTS OF A COPOLYMER OF ACRYLIC MONOMER AND VINYL ETHER MONOMERS; AND A COLORANT AGFA-GEVAERT (BE) 2001-10-30 US disclosed
EP-0997508-A1 New ink compositions for ink jet printing Agfa-Gevaert naamloze vennootschap (BE) 2000-05-03 EP disclosed