SCHEMBL7646498

SCHEMBL7646498

O=C(CCCl)OCCCCOc1ccc(C(=O)Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.49
GAA P10253 1/20 0.47
PPARA Q07869 1/20 0.44
POLB P06746 2/20 0.43
APEX1 P27695 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
PLA2G4B P0C869 1/20 0.42
PRSS1 P07477 2/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.40
F2 P00734 1/20 0.40
PLAU P00749 1/20 0.40
PRMT1 Q99873 1/20 0.40
ST14 Q9Y5Y6 1/20 0.40

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
SCHEMBL4081685 0.98 HTT (0.52) HTTL3MBTL1GAAPPARAPOLB
SCHEMBL3562863 0.97 HTT (0.47) HTTL3MBTL1GAAPPARAPOLB
SCHEMBL7646875 0.88 HTT (0.66) HTTL3MBTL1POLBAPEX1TDP1
SCHEMBL1667037 0.86 HTT (0.68) HTTL3MBTL1GAAPOLBAPEX1
SCHEMBL3626122 0.85 GAA (0.59) HTTL3MBTL1GAATP53TSHR
SCHEMBL31228620 0.85 GAA (0.59) HTTL3MBTL1GAATP53TSHR
SCHEMBL2039841 0.85 L3MBTL1 (0.55) L3MBTL1GAAPPARATP53TSHR
SCHEMBL2203739 0.84 HTT (0.61) HTTL3MBTL1POLBAPEX1TDP1
SCHEMBL13332095 0.83 L3MBTL1 (0.65) HTTL3MBTL1GAAPOLBMAPT
SCHEMBL9615211 0.83 GAA (0.66) HTTL3MBTL1GAATP53TSHR

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-6486338-B1 Preparation of organosilicon compounds containing α, β-unsaturated carboxylic acids CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 2002-11-26 US disclosed