SCHEMBL25306124

SCHEMBL25306124

CCOC(=O)COc1ccc(C(=O)c2ccccc2)c(OCC(=O)OCC)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.79
POLB P06746 2/20 0.60
MAPT P10636 4/20 0.53
MAPK1 P28482 1/20 0.53
KDM4E B2RXH2 6/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
CASP3 P42574 1/20 0.52
CASP7 P55210 1/20 0.52
CASP9 P55211 1/20 0.52
ALDH1A1 P00352 4/20 0.52
GAA P10253 4/20 0.52
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
LMNA P02545 1/20 0.51
NTSR1 P30989 1/20 0.51
HSD17B10 Q99714 2/20 0.49

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
SCHEMBL31006408 1.00 HPGD (0.79) HPGDPOLBMAPTMAPK1KDM4E
SCHEMBL25829494 0.96 HPGD (0.73) HPGDPOLBMAPTMAPK1KDM4E
SCHEMBL9574081 0.88 HPGD (1.00) HPGDPOLBMAPTMAPK1KDM4E
SCHEMBL16090169 0.84 POLB (0.63) HPGDPOLBMAPTMAPK1KDM4E
SCHEMBL16092725 0.83 MEN1 (0.61) HPGDPOLBMAPTMAPK1KDM4E
SCHEMBL9064154 0.83 HPGD (0.69) HPGDPOLBMAPTMAPK1KDM4E
SCHEMBL2013386 0.82 HPGD (0.56) HPGDPOLBMAPTMAPK1KDM4E
SCHEMBL14419325 0.80 HPGD (0.58) HPGDMAPTKDM4ENPC1RAB9A
SCHEMBL3646323 0.79 HPGD (0.58) HPGDPOLBMAPTKDM4ENPC1
SCHEMBL22542315 0.79 HPGD (0.59) HPGDPOLBMAPTMAPK1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023126223-A1 POLYHYDROXYLATED PHOTOINITIATORS ARKEMA FRANCE (FR) 2023-07-06 WO disclosed
EP-4206183-A1 POLYHYDROXYLATED PHOTOINITIATORS ARKEMA FRANCE (FR) 2023-07-05 EP disclosed
EP-4206183-A1 POLYHYDROXYLATED PHOTOINITIATORS ARKEMA FRANCE (FR) 2023-07-05 EP disclosed