SCHEMBL7625512

SCHEMBL7625512

Cc1ccccc1C(=O)OOC(=O)OCC(C)(COC(=O)OOC(=O)c1ccccc1C)COC(=O)OOC(=O)c1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.46
ADRB1 P08588 2/20 0.46
ADRB3 P13945 2/20 0.46
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
TSHR P16473 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 2/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
HSD17B10 Q99714 2/20 0.37
ERCC5 P28715 1/20 0.37
FEN1 P39748 1/20 0.37
CASP1 P29466 1/20 0.37

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
SCHEMBL7630231 0.89 MAPK1 (0.45) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL7627563 0.88 MEN1 (0.44) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL7632786 0.87 TSHR (0.45) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL7630962 0.83 CA12 (0.38) ADRB2ADRB1ADRB3TSHRL3MBTL1
SCHEMBL7633069 0.83 TSHR (0.41) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL7625039 0.82 MEN1 (0.43) MEN1KMT2ATSHRL3MBTL1NPC1
SCHEMBL7630256 0.82 NPC1 (0.48) KMT2ATSHRL3MBTL1NPC1RAB9A
SCHEMBL7630040 0.81 SCN1A (0.48) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL7628244 0.80 HCRTR1 (0.47) MEN1KMT2ATSHRL3MBTL1ALDH1A1
SCHEMBL127127 0.80 NPC1 (0.53) ADRB2ADRB1ADRB3MEN1KMT2A

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