SCHEMBL14280662

SCHEMBL14280662

ICc1ccc(OCCOCC(COCCOc2ccc(CI)cc2)OCC(COC(COCCOc2ccc(CI)cc2)COCCOc2ccc(CI)cc2)OC(COC(COCCOc2ccc(CI)cc2)COCCOc2ccc(CI)cc2)COC(COCCOc2ccc(CI)cc2)COCCOc2ccc(CI)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
POLB P06746 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CASP1 P29466 1/20 0.35
SLCO1B3 Q9NPD5 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
APP P05067 4/20 0.33
PLA2G2A P14555 2/20 0.32
HSP90AB1 P08238 2/20 0.31

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
SCHEMBL14280652 0.88 HTT (0.37) HTTPOLBKMT2AMEN1LMNA
SCHEMBL14280641 0.88 HTT (0.37) HTTPOLBKMT2AMEN1LMNA
SCHEMBL14280667 0.84 PTPN2 (0.33)
SCHEMBL14280665 0.83
SCHEMBL14280670 0.81 MEN1 (0.41) HTTPOLBKMT2AMEN1LMNA
SCHEMBL14280618 0.78 APP (0.47) KMT2AMEN1LMNAMAPK1SMN1; SMN2
SCHEMBL14168915 0.76 APP (0.44) APP
SCHEMBL14280642 0.74 APP (0.38) HTTKMT2AMEN1LMNAMAPK1
SCHEMBL14280658 0.71 ADRB2 (0.35) KMT2AMEN1LMNAMAPK1
SCHEMBL14280649 0.71 ADRB2 (0.35) KMT2AMEN1LMNAMAPK1

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