SCHEMBL7628510

SCHEMBL7628510

CCOc1ccccc1C(=O)OOC(=O)OCC(CC)(COC(=O)OOC(=O)c1ccccc1OCC)COC(=O)OOC(=O)c1ccccc1OCC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.47
KMT2A Q03164 3/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
TSHR P16473 1/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GLA P06280 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 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
SCHEMBL7629577 0.96 HCRTR1 (0.48) HCRTR1KMT2AESR1ESR2L3MBTL1
SCHEMBL7634178 0.91 HCRTR1 (0.44) HCRTR1KMT2AESR1ESR2L3MBTL1
SCHEMBL7628244 0.89 HCRTR1 (0.47) HCRTR1KMT2AESR1ESR2L3MBTL1
SCHEMBL7632033 0.88 NPC1 (0.50) KMT2AESR1ESR2L3MBTL1ALDH1A1
SCHEMBL12559126 0.87 HCRTR1 (0.53) HCRTR1KMT2AESR1ESR2L3MBTL1
SCHEMBL6464181 0.84 HCRTR1 (0.62) HCRTR1KMT2AESR1ESR2L3MBTL1
SCHEMBL7632786 0.82 TSHR (0.45) KMT2AESR1ESR2L3MBTL1ALDH1A1
SCHEMBL7626184 0.82 NPC1 (0.49) KMT2AESR1ESR2L3MBTL1ALDH1A1
SCHEMBL7625768 0.81 SCN1A (0.50) KMT2AL3MBTL1ALDH1A1MAPK1TSHR
SCHEMBL7628546 0.81 KMT2A (0.49) KMT2AALDH1A1GAATSHRMEN1

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