SCHEMBL7631796

SCHEMBL7631796

O=C(OCCC(COC(=O)OOC(=O)c1ccccc1)C(COC(=O)OOC(=O)c1ccccc1)C(COC(=O)OOC(=O)c1ccccc1)C(CCOC(=O)OOC(=O)c1ccccc1)COC(=O)OOC(=O)c1ccccc1)OOC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
F2 P00734 1/20 0.47
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 3/20 0.41
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 4/20 0.36
HSD17B10 Q99714 1/20 0.36
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
PKM P14618 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 1/20 0.35

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
SCHEMBL7628984 0.97 LMNA (0.47) LMNAF2ALDH1A1TDP1MAPK1
SCHEMBL7626129 0.93 LMNA (0.52) LMNAF2ALDH1A1TDP1MAPK1
SCHEMBL7632827 0.92 SLC1A5 (0.45) LMNAF2ALDH1A1TDP1SMN1; SMN2
SCHEMBL7634296 0.90 SLC1A5 (0.45) LMNAF2ALDH1A1TDP1SMN1; SMN2
SCHEMBL7626295 0.89 KMO (0.38) LMNAF2TDP1
SCHEMBL7634823 0.86 ADRB2 (0.39) ALDH1A1TDP1MAPK1KMT2AHSD17B10
SCHEMBL7631343 0.86 KMO (0.38) LMNAF2TDP1
SCHEMBL7627390 0.85 ALDH1A1 (0.37) LMNAALDH1A1TDP1MAPK1SLC6A2
SCHEMBL7632648 0.85 SLC1A5 (0.48) LMNAF2ALDH1A1TDP1SMN1; SMN2
SCHEMBL7629011 0.85 ADRB2 (0.43) SLC6A2SLC6A3KMT2AADRB2ADRB1

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
EP-1233014-A1 ASYMMETRIC ORGANIC PEROXIDE, CROSSLINKING AGENT COMPRISING THE SAME, AND METHOD OF CROSSLINKING WITH THE SAME NOF CORPORATION (JP) 2002-08-21 EP disclosed