SCHEMBL14280642

SCHEMBL14280642

ICc1ccc(OCCOCC(COCCOc2ccc(CI)cc2)(COCCOc2ccc(CI)cc2)COCCOc2ccc(CI)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 9/20 0.38
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
CASP1 P29466 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLCO1B3 Q9NPD5 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.34
CHKA P35790 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
LTA4H P09960 1/20 0.33

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
SCHEMBL14280632 0.91 APP (0.34) APPMAPK1MEN1USP2ALDH1A1
SCHEMBL14280633 0.89 APP (0.33) APPMAPK1MEN1USP2ALDH1A1
SCHEMBL14280618 0.86 APP (0.47) APPMAPK1MEN1USP2ALDH1A1
SCHEMBL14168915 0.84 APP (0.44) APPCHKAHRH3LTA4H
SCHEMBL14280611 0.84 KDM4E (0.37) APPMAPK1MEN1USP2ALDH1A1
SCHEMBL14280606 0.82 KDM4E (0.36) APPMAPK1MEN1USP2ALDH1A1
SCHEMBL14280640 0.81 PTPN2 (0.38) ALDH1A1KDM4EHRH3LTA4H
SCHEMBL14280638 0.79 KCNH2 (0.32)
SCHEMBL14280616 0.78 KDM4E (0.50) APPMAPK1MEN1USP2ALDH1A1
SCHEMBL9705878 0.78 KCNA3 (0.50) APPHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080021185-A1 initiator systems; block polymers of vinyl acetate, vinyl alcohol, or polyvinyl butyral; use as water-soluble films, biodegradable and water-soluble polymers, detergents, in adhesives and as emulsifier; e.g. star polyethylene glycol modified with polyvinyl alcohol groups through a phenylene spacer CELANESE VENTURES GMBH (DE) 2008-01-24 US disclosed