SCHEMBL6508751

SCHEMBL6508751

CO[C]=Cc1[c]cc(OCCOCCOC)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
RECQL P46063 1/20 0.38
MAOA P21397 1/20 0.32
DYRK1A Q13627 1/20 0.32
APP P05067 9/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
AOC2 O75106 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
SCHEMBL12703538 0.71 KDM4E (0.61) KDM4ERECQLAPPMAPK1TDP1
SCHEMBL3611926 0.71 KDM4E (0.61) KDM4ERECQLAPPMAPK1TDP1
SCHEMBL5873246 0.69 TDP1 (0.38) MAPK1TDP1
SCHEMBL19435886 0.69 KDM4E (0.37) KDM4ERECQLMAOADYRK1ATDP1
SCHEMBL14237450 0.67 PRKAB2 (0.36) KDM4ERECQLMAOADYRK1ATDP1
SCHEMBL518223 0.67 KDM4E (0.36) KDM4ERECQLMAOADYRK1AAPP
SCHEMBL14814084 0.67 KDM4E (0.36) KDM4ERECQLMAOADYRK1ATDP1
SCHEMBL27852529 0.67 MAPT (0.38) KDM4ERECQLMAOADYRK1ATDP1
SCHEMBL21708116 0.66 KDM4E (0.38) KDM4ERECQLMAOADYRK1AMAPK1
SCHEMBL14653314 0.66 APP (0.53) KDM4ERECQLAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050019602-A1 SELF-ASSEMBLY OF ORGANIC-INORGANIC NANOCOMPOSITE THIN FILMS FOR USE IN HYBRID ORGANIC LIGHT EMITTING DEVICES (HLED) CANON KABUSHIKI KAISHA (JP) 2005-01-27 US disclosed
JP-2005008533-A METHOD FOR PRODUCING α-TRIFLUOROMETHYL-β-HYDROXYCARBONYL COMPOUND CENTRAL GLASS CO LTD 2005-01-13 JP disclosed