SCHEMBL7630402

SCHEMBL7630402

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
CTSD P07339 1/20 0.41
ALDH1A1 P00352 6/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
XBP1 P17861 1/20 0.41
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HSP90AA1 P07900 1/20 0.40
ATM Q13315 1/20 0.39
LMNA P02545 2/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL7631029 0.94 ALDH1A1 (0.41) NPC1RAB9ACTSDALDH1A1HTT
SCHEMBL7630959 0.94 ALDH1A1 (0.41) NPC1RAB9ACTSDALDH1A1HTT
SCHEMBL7625237 0.90 NPC1 (0.41) NPC1RAB9ACTSDALDH1A1HTT
SCHEMBL7634947 0.89 KMT2A (0.47) NPC1RAB9AALDH1A1HPGDKMT2A
SCHEMBL7632866 0.88 HCRTR1 (0.43) ALDH1A1HTTKMT2AL3MBTL1MAPT
SCHEMBL7637000 0.86 CA12 (0.41) ALDH1A1KMT2AL3MBTL1MAPTNPSR1
SCHEMBL7630836 0.84 ADRB2 (0.43) NPC1RAB9AALDH1A1HPGDKMT2A
SCHEMBL7635469 0.84 MEN1 (0.45) RAB9AALDH1A1HTTKMT2AMAPT
SCHEMBL7627511 0.84 KMT2A (0.48) NPC1RAB9AALDH1A1HTTHPGD
SCHEMBL7628288 0.83 KMT2A (0.45) NPC1RAB9AALDH1A1HTTHPGD

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