SCHEMBL11099655

SCHEMBL11099655

CCCCCCCCCCCCCCCCCCn1c(=O)n(CCO)n(CCO)c1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.42
PTGS2 P35354 3/20 0.42
MGLL Q99685 3/20 0.42
FAAH O00519 2/20 0.42
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 3/20 0.42
TP53 P04637 1/20 0.42
TNF P01375 2/20 0.42
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.41
GBA1 P04062 1/20 0.41
ADORA2B P29275 1/20 0.41
PRKCD Q05655 4/20 0.40
RGS4 P49798 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL12787622 0.83 MGLL (0.52) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL4963710 0.83 MGLL (0.52) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL9626274 0.83 MGLL (0.52) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL11840543 0.83 MGLL (0.52) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL6239660 0.80 RGS4 (0.50) PTGS1PTGS2MGLLFAAHTNF
SCHEMBL10014291 0.77 ADORA2B (0.47) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL23509686 0.74 RGS4 (0.44) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL10382375 0.74 RGS4 (0.45) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL13327050 0.73 ALDH1A1 (0.42) MGLLFAAHALDH1A1HSD17B10TP53
SCHEMBL25465030 0.73 ALDH1A1 (0.42) MGLLFAAHALDH1A1HSD17B10TP53

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
EP-0044420-B1 HYDROXYALKYL-1,2,4-TRIAZOLIDINE-3,5-DIONES AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1984-11-28 EP disclosed
US-4377694-A CROSSLINKER, ACTIVATOR FOR POLYESTERS, POLYETHERS, OR POLYURETHANES BAYER AKTIENGESELLSCHAFT (DE) 1983-03-22 US disclosed
EP-0044420-A1 Hydroxyalkyl-1,2,4-triazolidine-3,5-diones and process for their preparation BAYER AG (DE) 1982-01-27 EP disclosed