SCHEMBL4611432

SCHEMBL4611432

CCOC(=O)COc1cc2oc(=O)cc(C)c2cc1OCC(=O)OCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.58
ALDH1A1 P00352 13/20 0.58
HPGD P15428 7/20 0.58
HSD17B10 Q99714 5/20 0.58
GAA P10253 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
GLA P06280 2/20 0.58
HSP90AA1 P07900 1/20 0.58
HSP90AB1 P08238 1/20 0.58
MAPT P10636 1/20 0.58
ALPG P10696 1/20 0.58
ALOX15 P16050 1/20 0.58
ALOX12 P18054 1/20 0.58
CASP1 P29466 1/20 0.58
CASP7 P55210 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C19 P33261 1/20 0.58
TSHR P16473 2/20 0.57
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53

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
SCHEMBL4263170 0.88 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL5431529 0.87 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL4611428 0.87 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL591362 0.84 KDM4E (0.78) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL20364004 0.82 ALDH1A1 (0.77) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL5425572 0.81 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10GAA
Hydrochloric Acid SCHEMBL11054228 0.80 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL9229347 0.77 KDM4E (0.60) KDM4EALDH1A1HPGDHSD17B10GAA
Metesculetol SCHEMBL29649664 0.76 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL7299491 0.76 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3316910-A1 TRIPLET-TRIPLET ANNIHILATION-BASED UPCONVERSION Children's Medical Center Corporation (US) 2018-05-09 EP claimed
WO-2017004310-A1 TRIPLET-TRIPLET ANNIHILATION-BASED UPCONVERSION CHILDREN'S MEDICAL CENTER CORPORATION (US) 2017-01-05 WO claimed
EP-1988396-A1 Method for proving fertility improving or contraceptive agents FORSCHUNGSZENTRUM JÜLICH GMBH (DE) 2008-11-05 EP claimed
EP-1590672-B1 METHOD FOR THE DETECTION OF FERTILITY-BOOSTING OR CONTRACEPTIVE SUBSTANCES FORSCHUNGSZENTRUM JUELICH GMBH (DE) 2008-10-08 EP claimed
EP-1590672-A1 METHOD FOR THE DETECTION OF FERTILITY-BOOSTING OR CONTRACEPTIVE SUBSTANCES FORSCHUNGSZENTRUM JÜLICH GMBH (DE) 2005-11-02 EP claimed
WO-2004068142-A1 METHOD FOR THE DETECTION OF FERTILITY-BOOSTING OR CONTRACEPTIVE SUBSTANCES Forschungszentrum Jülich GmbH (DE) 2004-08-12 WO claimed
EP-1988396-A1 Method for proving fertility improving or contraceptive agents FORSCHUNGSZENTRUM JÜLICH GMBH (DE) 2008-11-05 EP disclosed
EP-1988396-A1 Method for proving fertility improving or contraceptive agents FORSCHUNGSZENTRUM JÜLICH GMBH (DE) 2008-11-05 EP disclosed
EP-1590672-B1 METHOD FOR THE DETECTION OF FERTILITY-BOOSTING OR CONTRACEPTIVE SUBSTANCES FORSCHUNGSZENTRUM JUELICH GMBH (DE) 2008-10-08 EP disclosed
EP-1590672-A1 METHOD FOR THE DETECTION OF FERTILITY-BOOSTING OR CONTRACEPTIVE SUBSTANCES FORSCHUNGSZENTRUM JÜLICH GMBH (DE) 2005-11-02 EP disclosed
WO-2004068142-A1 METHOD FOR THE DETECTION OF FERTILITY-BOOSTING OR CONTRACEPTIVE SUBSTANCES Forschungszentrum Jülich GmbH (DE) 2004-08-12 WO disclosed