SCHEMBL14280649

SCHEMBL14280649

ICc1ccc(COCCOCC(COCC(COCCOCc2ccc(CI)cc2)OCCOCc2ccc(CI)cc2)OCCOCc2ccc(CI)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
THRB P10828 1/20 0.30
ALOX12 P18054 1/20 0.30
NFKB1 P19838 1/20 0.30
APEX1 P27695 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
TBXAS1 P24557 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
SCHEMBL14280658 1.00 ADRB2 (0.35) ADRB2ADRB1ADRB3PTPN2PTPN1
SCHEMBL14280667 0.87 PTPN2 (0.33) ADRB2ADRB1ADRB3PTPN2PTPN1
SCHEMBL14280661 0.86
SCHEMBL14280669 0.86
SCHEMBL14280646 0.85
SCHEMBL14280652 0.83 HTT (0.37) ADRB2ADRB1ADRB3MEN1LMNA
SCHEMBL14280641 0.83 HTT (0.37) ADRB2ADRB1ADRB3MEN1LMNA
SCHEMBL14280623 0.81 TSHR (0.42) PTPN2PTPN1PTPN6
SCHEMBL14280670 0.77 MEN1 (0.41) ADRB2ADRB1ADRB3MEN1LMNA
SCHEMBL14280665 0.72

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