SCHEMBL7631029

SCHEMBL7631029

COc1ccccc1C(=O)OOC(=O)OCCC(COC(=O)OOC(=O)c1ccccc1OC)C(COC(=O)OOC(=O)c1ccccc1OC)C(COC(=O)OOC(=O)c1ccccc1OC)C(CCOC(=O)OOC(=O)c1ccccc1OC)COC(=O)OOC(=O)c1ccccc1OC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
ATM Q13315 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 2/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
XBP1 P17861 1/20 0.39
CTSD P07339 1/20 0.39
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HSP90AA1 P07900 1/20 0.38
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
GAA P10253 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
SCHEMBL7630959 0.98 ALDH1A1 (0.41) ALDH1A1ATMNPC1RAB9AHTT
SCHEMBL7630402 0.94 NPC1 (0.41) ALDH1A1ATMNPC1RAB9AHTT
SCHEMBL7628288 0.90 KMT2A (0.45) ALDH1A1NPC1RAB9AHTTHPGD
SCHEMBL7623732 0.88 HCRTR1 (0.40) ALDH1A1HPGDL3MBTL1MAPTNPSR1
SCHEMBL7629314 0.87 KMT2A (0.45) ALDH1A1NPC1RAB9AHTTHPGD
SCHEMBL7626986 0.87 L3MBTL1 (0.38) ALDH1A1KMT2AL3MBTL1MAPTNPSR1
SCHEMBL7625237 0.86 NPC1 (0.41) ALDH1A1ATMNPC1RAB9AHTT
SCHEMBL7635732 0.86 HCRTR1 (0.40) ALDH1A1HPGDL3MBTL1MAPTNPSR1
SCHEMBL7630032 0.85 ADRB2 (0.41) ALDH1A1NPC1RAB9AHPGDKMT2A
SCHEMBL7670442 0.85 KMT2A (0.46) NPC1RAB9AHTTKMT2AL3MBTL1

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