SCHEMBL7626420

SCHEMBL7626420

COc1cc(C(=O)OOC(=O)OCC(C)(COC(=O)OOC(=O)c2cc(OC)c(OC)c(OC)c2)COC(=O)OOC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 5/20 0.47
SCN1A P35498 2/20 0.46
SCN2A Q99250 2/20 0.46
SCN3A Q9NY46 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
KCNH2 Q12809 2/20 0.44
NR1I2 O75469 1/20 0.44
CHRM2 P08172 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADRA2B P18089 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
CHRNA4 P43681 1/20 0.44
PDE4D Q08499 1/20 0.44
KDM4E B2RXH2 2/20 0.43

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
SCHEMBL7628242 0.90 SLC29A1 (0.48) SLC29A1SCN1ASCN2ASCN3ASMN1; SMN2
SCHEMBL2612557 0.86 SLC29A1 (0.56) SLC29A1SCN1ASCN2ASCN3ASMN1; SMN2
SCHEMBL7628083 0.86 OPRM1 (0.51) SLC29A1SCN1ASCN2ASCN3ASMN1; SMN2
SCHEMBL7634320 0.84 MAPT (0.54) SMN1; SMN2KMT2AMEN1ALDH1A1TSHR
SCHEMBL7630452 0.84 OPRM1 (0.44) SLC29A1SCN1ASCN2ASCN3ASMN1; SMN2
SCHEMBL7637392 0.82 KDM4E (0.42) SMN1; SMN2KMT2AMEN1KDM4EALDH1A1
SCHEMBL14092784 0.81 KMT2A (0.54) SLC29A1SCN1ASCN2ASCN3ASMN1; SMN2
SCHEMBL7636360 0.79 SERPINE1 (0.38) KMT2AMEN1NR1I2CYP3A4CYP2D6
SCHEMBL7634704 0.78 KMT2A (0.53) KMT2AMEN1KDM4EALDH1A1CYP3A4
SCHEMBL7629164 0.78 PKM (0.45) SMN1; SMN2KMT2AMEN1PDE4DKDM4E

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