SCHEMBL7634348

SCHEMBL7634348

[CH2]CCCCOOC(=O)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 6/20 0.50
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
THPO P40225 2/20 0.49
MTOR P42345 2/20 0.49
SCN1A P35498 2/20 0.49
SCN2A Q99250 2/20 0.49
SCN3A Q9NY46 2/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
PMP22 Q01453 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.45
LMNA P02545 2/20 0.45
TSHR P16473 2/20 0.45
ABCC4 O15439 1/20 0.45
CYP2C9 P11712 1/20 0.45
CHRM3 P20309 1/20 0.45
HTR2A P28223 1/20 0.45
MAPK1 P28482 1/20 0.45
SLC6A4 P31645 1/20 0.45

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
SCHEMBL7635826 0.99 CYP3A4 (0.51) SLC29A1CYP3A4CYP2D6THPOMTOR
SCHEMBL7627945 0.99 CYP3A4 (0.51) SLC29A1CYP3A4CYP2D6THPOMTOR
SCHEMBL7630377 0.99 CYP3A4 (0.51) SLC29A1CYP3A4CYP2D6THPOMTOR
SCHEMBL7632357 0.96 SCN1A (0.50) SLC29A1CYP3A4CYP2D6THPOMTOR
SCHEMBL7634072 0.90 SLC29A1 (0.50) SLC29A1CYP3A4CYP2D6THPOMTOR
SCHEMBL7956555 0.85 SLC29A1 (0.67) SLC29A1CYP3A4CYP2D6THPOMTOR
SCHEMBL7634858 0.84 CA12 (0.51) CYP3A4MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL7952909 0.84 CYP3A4 (0.67) SLC29A1CYP3A4CYP2D6THPOMTOR
SCHEMBL7631456 0.83 HDAC6 (0.50) CYP3A4MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL7635516 0.83 HDAC6 (0.50) CYP3A4MEN1KMT2ASMN1; SMN2TSHR

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