SCHEMBL2776572

SCHEMBL2776572

CC(=O)OCc1cc(COC(C)=O)c(OC(C)=O)c(COC(C)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
CYP3A4 P08684 2/20 0.46
CA2 P00918 2/20 0.46
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
IDH1 O75874 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
BACE1 P56817 1/20 0.38
PREP P48147 2/20 0.36
CELA1 Q9UNI1 1/20 0.36
TOP1 P11387 1/20 0.36
ALOX5 P09917 1/20 0.35
LMNA P02545 2/20 0.34

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
SCHEMBL23924793 0.87 CA2 (0.47) ALDH1A1CYP3A4CA2KDM4EHSD17B10
SCHEMBL13410941 0.85 ALDH1A1 (0.48) ALDH1A1CYP3A4CA2KDM4EHSD17B10
SCHEMBL9331500 0.85 HSD17B10 (0.47) ALDH1A1CYP3A4CA2KDM4EHSD17B10
SCHEMBL14369565 0.84 CA2 (0.45) ALDH1A1CYP3A4CA2KDM4EHSD17B10
SCHEMBL29466877 0.84 CA2 (0.53) ALDH1A1CYP3A4CA2KDM4EHSD17B10
SCHEMBL10883566 0.82 ALDH1A1 (0.56) ALDH1A1CYP3A4CA2KDM4EHSD17B10
SCHEMBL11316034 0.82 BACE1 (0.58) ALDH1A1CYP3A4KDM4EHSD17B10IDH1
SCHEMBL18195448 0.81 PRKCE (0.41) ALDH1A1CYP3A4CA2CYP4F2CYP4A11
SCHEMBL7566203 0.81 ALDH1A1 (0.52) ALDH1A1CYP3A4CA2KDM4EHSD17B10
SCHEMBL23003524 0.81 MAPT (0.47) ALDH1A1CYP3A4CA2KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5340888-A Curable mixture of phenolic novolak resin, esterified phenolic compound and base; for foundry molds, cores BORDEN INC. (US) 1994-08-23 US claimed
EP-0377996-B1 Phenolic resins BORDEN UK LTD (GB) 1994-04-27 EP claimed
EP-0377996-A1 Phenolic resins BORDEN (UK) LIMITED (GB) 1990-07-18 EP claimed
WO-1990006903-A1 PHENOLIC RESINS BORDEN (UK) LIMITED (GB) 1990-06-28 WO claimed
US-8333909-B2 Conductive polymer, conductive polymer compositions and methods for their use BAC2 LIMITED (GB) 2012-12-18 US disclosed
US-20100159354-A1 CONDUCTIVE POLYMER, CONDUCTIVE POLYMER COMPOSITIONS AND METHODS FOR THEIR USE BAC2 LIMITED (GB) 2010-06-24 US disclosed
US-7655159-B2 Conductive polymer, conductive polymer compositions and their use GRAHAM SIMPSON MURRAY (GB) 2010-02-02 US disclosed
EP-2033244-B1 CONDUCTIVE POLYMER BAC2 LTD (GB) 2009-12-30 EP disclosed
US-20090186254-A1 Conductive polymer BAC2 LTD. (GB) 2009-07-23 US disclosed
EP-2033244-A1 CONDUCTIVE POLYMER BAC2 Limited (GB) 2009-03-11 EP disclosed
WO-2008001089-A1 CONDUCTIVE POLYMER BAC2 LTD (GB) 2008-01-03 WO disclosed
US-20060247364-A1 Conductive polymer, conductive polymer compositions and their use GRAHAM SIMPSON MURRAY (GB) 2006-11-02 US disclosed
WO-2004091015-A1 CONDUCTIVE POLYMER, CONDUCTIVE POLYMER COMPOSITIONS AND THEIR USE MURRAY GRAHAM SIMPSON (GB) 2004-10-21 WO disclosed
EP-0874282-B1 Negative working image recording material FUJI PHOTO FILM CO LTD (JP) 2003-12-10 EP disclosed
US-6083658-A ALKOXYMETHYL-SUBSTITUTED PHENOL CROSSLINKING AGENT, BINDER POLYMER, ACID GENERATOR, AND INFRARED RADIATION ABSORBER; LITHOGRAPHIC PRINTING PLATES FUJI PHOTO FILM CO., LTD. (JP) 2000-07-04 US disclosed
EP-0874282-A1 Negative working image recording material FUJI PHOTO FILM CO., LTD. (JP) 1998-10-28 EP disclosed
US-5340888-A Curable mixture of phenolic novolak resin, esterified phenolic compound and base; for foundry molds, cores BORDEN INC. (US) 1994-08-23 US disclosed
EP-0377996-B1 Phenolic resins BORDEN UK LTD (GB) 1994-04-27 EP disclosed
EP-0377996-A1 Phenolic resins BORDEN (UK) LIMITED (GB) 1990-07-18 EP disclosed
WO-1990006903-A1 PHENOLIC RESINS BORDEN (UK) LIMITED (GB) 1990-06-28 WO disclosed