SCHEMBL7629518

SCHEMBL7629518

CCOc1ccccc1C(=O)OO[CH]C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 2/20 0.49
▸ ESR1 P03372 1/20 0.44
▸ ESR2 Q92731 1/20 0.44
▸ L3MBTL1 Q9Y468 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ NOD2 Q9HC29 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL7626387 0.84 HPGD (0.51) ESR1ESR2L3MBTL1ALDH1A1MAPT
SCHEMBL6464181 0.83 HCRTR1 (0.62) HCRTR1ESR1ESR2L3MBTL1ALDH1A1
SCHEMBL7628408 0.81 HCRTR1 (0.43) HCRTR1ESR1ESR2L3MBTL1ALDH1A1
SCHEMBL17394753 0.81 HCRTR1 (0.53) HCRTR1ESR1ESR2L3MBTL1ALDH1A1
SCHEMBL7633598 0.80 HCRTR1 (0.44) HCRTR1ESR1ESR2L3MBTL1ALDH1A1
SCHEMBL7631883 0.80 HCRTR1 (0.49) HCRTR1ESR1ESR2L3MBTL1ALDH1A1
SCHEMBL7634051 0.79 HCRTR1 (0.48) HCRTR1ESR1ESR2L3MBTL1ALDH1A1
SCHEMBL10324240 0.77 HCRTR1 (0.55) HCRTR1ESR1ESR2L3MBTL1ALDH1A1
SCHEMBL7634707 0.77 HCRTR1 (0.55) HCRTR1ESR1ESR2L3MBTL1ALDH1A1
SCHEMBL7628280 0.77 HCRTR1 (0.55) HCRTR1ESR1ESR2L3MBTL1ALDH1A1

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
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