SCHEMBL7628280

SCHEMBL7628280

[CH2]OOC(=O)c1ccccc1OCC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.55
L3MBTL1 Q9Y468 4/20 0.49
ALDH1A1 P00352 2/20 0.49
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
MAPT P10636 3/20 0.49
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.49
GLA P06280 1/20 0.49
TSHR P16473 2/20 0.48
KMT2A Q03164 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 1/20 0.48
KDM4E B2RXH2 2/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46

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
SCHEMBL6464181 0.90 HCRTR1 (0.62) HCRTR1L3MBTL1ALDH1A1ESR1ESR2
SCHEMBL7945834 0.86 HCRTR1 (0.58) HCRTR1L3MBTL1ALDH1A1ESR1ESR2
SCHEMBL7627703 0.85 HCRTR1 (0.54) HCRTR1L3MBTL1ALDH1A1ESR1ESR2
SCHEMBL7632782 0.84 HCRTR1 (0.53) HCRTR1L3MBTL1ALDH1A1ESR1ESR2
SCHEMBL7634707 0.83 HCRTR1 (0.55) HCRTR1L3MBTL1ALDH1A1ESR1ESR2
SCHEMBL7636943 0.83 HCRTR1 (0.51) HCRTR1L3MBTL1ALDH1A1ESR1ESR2
SCHEMBL27990120 0.83 HCRTR1 (0.51) HCRTR1L3MBTL1ALDH1A1ESR1ESR2
SCHEMBL28992535 0.82 HCRTR1 (0.62) HCRTR1L3MBTL1ALDH1A1ESR1ESR2
SCHEMBL4282830 0.82 HCRTR1 (0.62) HCRTR1L3MBTL1ALDH1A1ESR1ESR2
SCHEMBL7625043 0.81 HCRTR1 (0.50) HCRTR1L3MBTL1ALDH1A1ESR1ESR2

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