SCHEMBL8617665

SCHEMBL8617665

O=C(CCC(=O)OCCO)OO

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.44
ADRA1A P35348 1/20 0.44
MAPT P10636 1/20 0.43
BLM P54132 1/20 0.43
MGLL Q99685 1/20 0.41
TSHR P16473 3/20 0.39
DGKA P23743 1/20 0.37
TDP1 Q9NUW8 1/20 0.34
HTR2C P28335 1/20 0.33
ACHE P22303 1/20 0.32
DNM1 Q05193 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL7557519 0.91 DGKA (0.48) ADRA2AADRA1AMAPTBLMMGLL
SCHEMBL475320 0.89 ADRA2A (0.52) ADRA2AADRA1AMAPTBLMMGLL
SCHEMBL6844202 0.81
SCHEMBL23819859 0.80 ADRA2A (0.44) ADRA2AADRA1AMAPTBLMMGLL
SCHEMBL683877 0.80 LMNA (0.45) ADRA2AADRA1AMAPTBLMMGLL
SCHEMBL18406981 0.80 ADRA2A (0.44) ADRA2AADRA1AMAPTBLMMGLL
SCHEMBL16077385 0.79 DGKA (0.52) ADRA2AADRA1AMAPTBLMMGLL
Ammonia Solution, Strong SCHEMBL15994013 0.79 MGLL (0.43) ADRA2AADRA1AMAPTBLMMGLL
SCHEMBL206255 0.79 DGKA (0.56) ADRA2AADRA1AMAPTBLMMGLL
SCHEMBL29286972 0.79 MGLL (0.43) ADRA2AADRA1AMAPTBLMMGLL

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-0667339-B1 Novel unsaturated peroxides, polymeric peroxides derived therefrom and their uses ATOCHEM NORTH AMERICA ELF (US) 1998-05-06 EP disclosed