SCHEMBL7069407

SCHEMBL7069407

CCCC(COC)(COC)OC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
TSHR P16473 3/20 0.46
CYP2D6 P10635 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPK1 P28482 1/20 0.45
HIF1A Q16665 1/20 0.45
TDP1 Q9NUW8 5/20 0.44
SLC6A3 Q01959 3/20 0.44
HTR1A P08908 1/20 0.44
SCN1A P35498 1/20 0.44
SCN5A Q14524 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 1/20 0.40
F2 P00734 1/20 0.40
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL9963969 0.87 CYP2D6 (0.51) LMNATSHRCYP2D6CYP1A2CYP2C19
SCHEMBL7067757 0.80 TSHR (0.44) LMNATSHRCYP2D6CYP1A2CYP2C19
SCHEMBL1081587 0.78 LMNA (0.59) LMNATSHRCYP2D6CYP1A2CYP2C19
SCHEMBL271818 0.78 CYP2D6 (0.51) LMNATSHRCYP2D6CYP1A2CYP2C19
SCHEMBL23532587 0.77 LMNA (0.53) LMNATSHRCYP2D6CYP1A2CYP2C19
SCHEMBL9928673 0.77 TSHR (0.52) LMNATSHRCYP2D6CYP1A2CYP2C19
SCHEMBL28035570 0.77 CYP2D6 (0.54) LMNATSHRCYP2D6CYP1A2CYP2C19
SCHEMBL12394143 0.77 CYP2D6 (0.54) LMNATSHRCYP2D6CYP1A2CYP2C19
SCHEMBL31471613 0.77 CYP2D6 (0.55) LMNATSHRCYP2D6CYP1A2CYP2C19
SCHEMBL1785164 0.77 CYP2D6 (0.58) LMNATSHRCYP2D6CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891988-B1 Components and catalysts for the polymerization of olefins BASELL POLIOLEFINE SPA (IT) 2003-06-04 EP disclosed
EP-0451645-B1 Components and catalysts for the polymerization of olefins MONTELL NORTH AMERICA INC (US) 1999-05-12 EP disclosed
EP-0891988-A2 Components and catalysts for the polymerization of olefins MONTELL NORTH AMERICA INC. (US) 1999-01-20 EP disclosed
US-5068213-A COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS HINMONT INCORPORATED (US) 1991-11-26 US disclosed
EP-0451645-A2 Components and catalysts for the polymerization of olefins MONTELL NORTH AMERICA INC. (US) 1991-10-16 EP disclosed