SCHEMBL7635732

SCHEMBL7635732

CCOc1ccccc1C(=O)OOC(=O)OCCC(COC(=O)OOC(=O)c1ccccc1OCC)C(COC(=O)OOC(=O)c1ccccc1OCC)C(CCOC(=O)OOC(=O)c1ccccc1OCC)COC(=O)OOC(=O)c1ccccc1OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NOD2 Q9HC29 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
TSHR P16473 1/20 0.37
TBXAS1 P24557 1/20 0.36

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
SCHEMBL7623732 0.98 HCRTR1 (0.40) HCRTR1KDM4EADRB2ADRB1ADRB3
SCHEMBL7632866 0.94 HCRTR1 (0.43) HCRTR1KDM4EADRB2ADRB1ADRB3
SCHEMBL7630959 0.88 ALDH1A1 (0.41) NPSR1ESR1ESR2MAPTL3MBTL1
SCHEMBL7633047 0.87 HCRTR1 (0.43) HCRTR1ADRB2ADRB1ADRB3NPSR1
SCHEMBL7631029 0.86 ALDH1A1 (0.41) NPSR1ESR1ESR2MAPTL3MBTL1
SCHEMBL7636205 0.83 ADRB2 (0.41) KDM4EADRB2ADRB1ADRB3SMN1; SMN2
SCHEMBL7630402 0.82 NPC1 (0.41) NPSR1SMN1; SMN2ESR1ESR2MAPT
SCHEMBL7634702 0.81 SCN1A (0.43) SMN1; SMN2LMNATSHR
SCHEMBL7630032 0.81 ADRB2 (0.41) KDM4EADRB2ADRB1ADRB3SMN1; SMN2
SCHEMBL7629314 0.81 KMT2A (0.45) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10

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